data_01A
# 
_chem_comp.id                                    01A 
_chem_comp.name                                  "4-Chlorophenacyl-coenzyme A" 
_chem_comp.type                                  NON-POLYMER 
_chem_comp.pdbx_type                             HETAIN 
_chem_comp.formula                               "C29 H41 Cl N7 O17 P3 S" 
_chem_comp.mon_nstd_parent_comp_id               ? 
_chem_comp.pdbx_synonyms                         ? 
_chem_comp.pdbx_formal_charge                    0 
_chem_comp.pdbx_initial_date                     2008-04-28 
_chem_comp.pdbx_modified_date                    2008-10-31 
_chem_comp.pdbx_ambiguous_flag                   N 
_chem_comp.pdbx_release_status                   REL 
_chem_comp.pdbx_replaced_by                      ? 
_chem_comp.pdbx_replaces                         ? 
_chem_comp.formula_weight                        920.112 
_chem_comp.one_letter_code                       ? 
_chem_comp.three_letter_code                     01A 
_chem_comp.pdbx_model_coordinates_details        ? 
_chem_comp.pdbx_model_coordinates_missing_flag   N 
_chem_comp.pdbx_ideal_coordinates_details        Corina 
_chem_comp.pdbx_ideal_coordinates_missing_flag   N 
_chem_comp.pdbx_model_coordinates_db_code        3CW9 
_chem_comp.pdbx_subcomponent_list                ? 
_chem_comp.pdbx_processing_site                  RCSB 
# 
loop_
_chem_comp_atom.comp_id 
_chem_comp_atom.atom_id 
_chem_comp_atom.alt_atom_id 
_chem_comp_atom.type_symbol 
_chem_comp_atom.charge 
_chem_comp_atom.pdbx_align 
_chem_comp_atom.pdbx_aromatic_flag 
_chem_comp_atom.pdbx_leaving_atom_flag 
_chem_comp_atom.pdbx_stereo_config 
_chem_comp_atom.model_Cartn_x 
_chem_comp_atom.model_Cartn_y 
_chem_comp_atom.model_Cartn_z 
_chem_comp_atom.pdbx_model_Cartn_x_ideal 
_chem_comp_atom.pdbx_model_Cartn_y_ideal 
_chem_comp_atom.pdbx_model_Cartn_z_ideal 
_chem_comp_atom.pdbx_component_atom_id 
_chem_comp_atom.pdbx_component_comp_id 
_chem_comp_atom.pdbx_ordinal 
01A O7A    O7A  O  0 1 N N N 22.959 40.748 78.470 -10.721 -3.470 -0.007 O7A    01A 1  
01A P3A    P3A  P  0 1 N N N 22.353 39.727 77.540 -9.517  -3.052 0.976  P3A    01A 2  
01A O9A    O9A  O  0 1 N N N 20.877 39.901 77.275 -9.789  -1.577 1.560  O9A    01A 3  
01A O8A    O8A  O  0 1 N N N 23.159 39.498 76.276 -9.435  -4.018 2.094  O8A    01A 4  
01A "O3A'" O3A* O  0 0 N N N 22.476 38.353 78.387 -8.130  -3.058 0.159  "O3A'" 01A 5  
01A "C3A'" C3A* C  0 0 N N S 21.939 37.113 77.922 -6.861  -2.831 0.776  "C3A'" 01A 6  
01A "C2A'" C2A* C  0 0 N N R 22.972 36.253 77.212 -5.892  -3.998 0.468  "C2A'" 01A 7  
01A "O2A'" O2A* O  0 0 N N N 23.983 37.015 76.540 -6.611  -5.169 0.077  "O2A'" 01A 8  
01A "C1A'" C1A* C  0 0 N N R 23.552 35.399 78.327 -5.070  -3.432 -0.719 "C1A'" 01A 9  
01A N9A    N9A  N  0 1 Y N N 24.020 34.080 77.833 -3.762  -4.086 -0.799 N9A    01A 10 
01A C4A    C4A  C  0 1 Y N N 25.161 33.498 78.211 -3.484  -5.273 -1.429 C4A    01A 11 
01A C5A    C5A  C  0 1 Y N N 25.254 32.290 77.541 -2.110  -5.498 -1.243 C5A    01A 12 
01A C6A    C6A  C  0 1 Y N N 26.372 31.487 77.772 -1.548  -6.662 -1.793 C6A    01A 13 
01A N6A    N6A  N  0 1 N N N 26.515 30.295 77.144 -0.200  -6.938 -1.642 N6A    01A 14 
01A N1A    N1A  N  0 1 Y N N 27.324 31.914 78.638 -2.341  -7.493 -2.462 N1A    01A 15 
01A C2A    C2A  C  0 1 Y N N 27.207 33.094 79.271 -3.628  -7.238 -2.611 C2A    01A 16 
01A N3A    N3A  N  0 1 Y N N 26.145 33.880 79.065 -4.198  -6.161 -2.113 N3A    01A 17 
01A N7A    N7A  N  0 1 Y N N 24.152 32.165 76.764 -1.628  -4.456 -0.522 N7A    01A 18 
01A C8A    C8A  C  0 1 Y N N 23.401 33.267 76.954 -2.595  -3.623 -0.266 C8A    01A 19 
01A "O4A'" O4A* O  0 0 N N N 22.505 35.249 79.302 -4.921  -2.034 -0.389 "O4A'" 01A 20 
01A "C4A'" C4A* C  0 0 N N R 21.516 36.273 79.120 -6.175  -1.597 0.161  "C4A'" 01A 21 
01A "C5A'" C5A* C  0 0 N N N 20.137 35.639 78.916 -5.929  -0.544 1.243  "C5A'" 01A 22 
01A "O5A'" O5A* O  0 0 N N N 19.938 35.253 77.552 -5.400  0.641  0.645  "O5A'" 01A 23 
01A P1A    P1A  P  0 1 N N S 19.054 33.961 77.187 -5.023  1.958  1.491  P1A    01A 24 
01A O1A    O1A  O  0 1 N N N 19.190 33.689 75.709 -4.077  1.596  2.570  O1A    01A 25 
01A O2A    O2A  O  0 1 N N N 17.679 34.179 77.785 -6.359  2.583  2.135  O2A    01A 26 
01A O3A    O3A  O  0 1 N N N 19.829 32.785 77.985 -4.337  3.042  0.518  O3A    01A 27 
01A P2A    P2A  P  0 1 N N R 19.084 31.501 78.629 -3.397  4.326  0.762  P2A    01A 28 
01A O4A    O4A  O  0 1 N N N 18.191 30.915 77.569 -2.337  3.985  1.736  O4A    01A 29 
01A O5A    O5A  O  0 1 N N N 18.524 31.874 79.977 -4.285  5.539  1.339  O5A    01A 30 
01A O6A    O6A  O  0 1 N N N 20.306 30.498 78.925 -2.723  4.770  -0.632 O6A    01A 31 
01A CCP    CCP  C  0 1 N N N 21.238 30.152 77.907 -1.754  5.816  -0.729 CCP    01A 32 
01A CBP    CBP  C  0 1 N N N 21.268 28.642 77.667 -1.323  5.977  -2.188 CBP    01A 33 
01A CDP    CDP  C  0 1 N N N 19.865 28.172 77.276 -0.712  4.667  -2.688 CDP    01A 34 
01A CEP    CEP  C  0 1 N N N 21.713 27.907 78.931 -2.542  6.330  -3.043 CEP    01A 35 
01A CAP    CAP  C  0 1 N N R 22.274 28.426 76.530 -0.286  7.097  -2.293 CAP    01A 36 
01A OAP    OAP  O  0 1 N N N 23.581 28.801 76.984 -0.894  8.344  -1.952 OAP    01A 37 
01A C9P    C9P  C  0 1 N N N 22.264 27.022 75.961 0.852   6.817  -1.345 C9P    01A 38 
01A O9P    O9P  O  0 1 N N N 21.209 26.610 75.264 0.996   7.499  -0.352 O9P    01A 39 
01A N8P    N8P  N  0 1 N N N 23.258 26.249 76.126 1.710   5.810  -1.600 N8P    01A 40 
01A C7P    C7P  C  0 1 N N N 23.363 24.881 75.617 2.752   5.471  -0.628 C7P    01A 41 
01A C6P    C6P  C  0 1 N N N 24.558 24.834 74.664 3.583   4.300  -1.158 C6P    01A 42 
01A C5P    C5P  C  0 1 N N N 24.703 23.418 74.133 4.655   3.951  -0.158 C5P    01A 43 
01A O5P    O5P  O  0 1 N N N 23.795 22.946 73.474 4.745   4.577  0.877  O5P    01A 44 
01A N4P    N4P  N  0 1 N N N 25.834 22.763 74.406 5.513   2.944  -0.414 N4P    01A 45 
01A C3P    C3P  C  0 1 N N N 26.257 21.395 74.043 6.555   2.605  0.559  C3P    01A 46 
01A C2P    C2P  C  0 1 N N N 26.811 21.424 72.616 7.386   1.435  0.029  C2P    01A 47 
01A S1P    S1P  S  0 1 N N N 27.549 19.885 72.122 8.676   1.015  1.232  S1P    01A 48 
01A C1     C1   C  0 1 N N N 28.691 19.769 73.326 9.540   -0.369 0.439  C1     01A 49 
01A C      C    C  0 1 N N N 29.056 18.715 74.066 10.660  -0.840 1.331  C      01A 50 
01A O2     O2   O  0 1 N N N 29.872 18.952 74.923 10.856  -0.295 2.396  O2     01A 51 
01A "C1'"  C1*  C  0 1 Y N N 28.563 17.303 73.941 11.515  -1.959 0.908  "C1'"  01A 52 
01A C6     C6   C  0 1 Y N N 28.255 16.638 75.127 12.556  -2.399 1.733  C6     01A 53 
01A C5     C5   C  0 1 Y N N 27.803 15.331 75.092 13.353  -3.448 1.331  C5     01A 54 
01A C2     C2   C  0 1 Y N N 28.448 16.641 72.718 11.288  -2.594 -0.318 C2     01A 55 
01A C3     C3   C  0 1 Y N N 27.988 15.322 72.680 12.093  -3.642 -0.707 C3     01A 56 
01A C4     C4   C  0 1 Y N N 27.670 14.678 73.878 13.126  -4.068 0.112  C4     01A 57 
01A CL4A   CL4A CL 0 0 N N N 27.075 12.992 73.904 14.136  -5.389 -0.386 CL4A   01A 58 
01A HO7A   HO7A H  0 0 N N N 23.086 40.360 79.328 -11.589 -3.488 0.419  HO7A   01A 59 
01A HO9A   HO9A H  0 0 N N N 20.409 39.938 78.101 -9.854  -0.891 0.882  HO9A   01A 60 
01A "H3A'" H3A* H  0 0 N N N 21.117 37.377 77.240 -6.979  -2.705 1.853  "H3A'" 01A 61 
01A "H2A'" H2A* H  0 0 N N N 22.521 35.661 76.402 -5.248  -4.205 1.322  "H2A'" 01A 62 
01A H2AA   H2AA H  0 0 N N N 23.711 37.184 75.646 -6.047  -5.927 -0.127 H2AA   01A 63 
01A "H1A'" H1A* H  0 0 N N N 24.440 35.881 78.762 -5.617  -3.549 -1.655 "H1A'" 01A 64 
01A HN6A   HN6A H  0 0 N N N 26.550 30.441 76.155 0.368   -6.324 -1.152 HN6A   01A 65 
01A HN6B   HN6B H  0 0 N N N 27.362 29.858 77.447 0.176   -7.745 -2.027 HN6B   01A 66 
01A H2A    H2A  H  0 1 N N N 27.981 33.411 79.955 -4.237  -7.940 -3.162 H2A    01A 67 
01A H8A    H8A  H  0 1 N N N 22.453 33.467 76.477 -2.490  -2.705 0.293  H8A    01A 68 
01A "H4A'" H4A* H  0 0 N N N 21.442 36.918 80.008 -6.800  -1.180 -0.629 "H4A'" 01A 69 
01A "H5A'" H5A* H  0 0 N N N 20.059 34.746 79.553 -6.870  -0.310 1.743  "H5A'" 01A 70 
01A H5AA   H5AA H  0 0 N N N 19.370 36.381 79.183 -5.218  -0.931 1.972  H5AA   01A 71 
01A HO2A   HO2A H  0 0 N N N 17.748 34.225 78.731 -7.024  2.844  1.483  HO2A   01A 72 
01A HO5A   HO5A H  0 0 N N N 19.233 31.953 80.604 -5.001  5.817  0.751  HO5A   01A 73 
01A HCP    HCP  H  0 1 N N N 20.946 30.654 76.973 -2.190  6.749  -0.373 HCP    01A 74 
01A HCPA   HCPA H  0 0 N N N 22.240 30.472 78.230 -0.886  5.564  -0.120 HCPA   01A 75 
01A HDP    HDP  H  0 1 N N N 19.250 28.059 78.181 -1.477  3.891  -2.703 HDP    01A 76 
01A HDPA   HDPA H  0 0 N N N 19.403 28.914 76.609 -0.320  4.810  -3.695 HDPA   01A 77 
01A HDPB   HDPB H  0 0 N N N 19.934 27.205 76.757 0.097   4.366  -2.022 HDPB   01A 78 
01A HEP    HEP  H  0 1 N N N 21.820 26.834 78.713 -3.048  7.196  -2.616 HEP    01A 79 
01A HEPA   HEPA H  0 0 N N N 22.679 28.311 79.269 -2.219  6.563  -4.058 HEPA   01A 80 
01A HEPB   HEPB H  0 0 N N N 20.960 28.047 79.721 -3.228  5.483  -3.066 HEPB   01A 81 
01A HAP    HAP  H  0 1 N N N 21.968 29.070 75.692 0.095   7.145  -3.313 HAP    01A 82 
01A HOAP   HOAP H  0 0 N N N 24.164 28.884 76.239 -1.256  8.373  -1.056 HOAP   01A 83 
01A HN8P   HN8P H  0 0 N N N 24.034 26.605 76.647 1.638   5.309  -2.428 HN8P   01A 84 
01A H7P    H7P  H  0 1 N N N 23.515 24.178 76.449 3.399   6.334  -0.472 H7P    01A 85 
01A H7PA   H7PA H  0 0 N N N 22.440 24.592 75.093 2.289   5.189  0.317  H7PA   01A 86 
01A H6P    H6P  H  0 1 N N N 24.393 25.529 73.827 2.936   3.437  -1.314 H6P    01A 87 
01A H6PA   H6PA H  0 0 N N N 25.474 25.129 75.197 4.046   4.582  -2.104 H6PA   01A 88 
01A HN4P   HN4P H  0 0 N N N 26.501 23.281 74.942 5.440   2.444  -1.241 HN4P   01A 89 
01A H3P    H3P  H  0 1 N N N 27.035 21.048 74.739 7.201   3.468  0.714  H3P    01A 90 
01A H3PA   H3PA H  0 0 N N N 25.401 20.707 74.102 6.092   2.323  1.504  H3PA   01A 91 
01A H2P    H2P  H  0 1 N N N 25.981 21.645 71.928 6.739   0.571  -0.127 H2P    01A 92 
01A H2PA   H2PA H  0 0 N N N 27.598 22.192 72.583 7.849   1.717  -0.917 H2PA   01A 93 
01A H1     H1   H  0 1 N N N 29.623 20.050 72.814 8.839   -1.188 0.273  H1     01A 94 
01A H1A    H1A  H  0 1 N N N 28.160 20.335 74.105 9.949   -0.042 -0.517 H1A    01A 95 
01A H6     H6   H  0 1 N N N 28.369 17.144 76.074 12.734  -1.917 2.683  H6     01A 96 
01A H5     H5   H  0 1 N N N 27.554 14.820 76.011 14.157  -3.789 1.967  H5     01A 97 
01A H2     H2   H  0 1 N N N 28.714 17.147 71.802 10.483  -2.263 -0.958 H2     01A 98 
01A H3     H3   H  0 1 N N N 27.880 14.807 71.737 11.919  -4.133 -1.653 H3     01A 99 
# 
loop_
_chem_comp_bond.comp_id 
_chem_comp_bond.atom_id_1 
_chem_comp_bond.atom_id_2 
_chem_comp_bond.value_order 
_chem_comp_bond.pdbx_aromatic_flag 
_chem_comp_bond.pdbx_stereo_config 
_chem_comp_bond.pdbx_ordinal 
01A P3A    O7A    SING N N 1   
01A O7A    HO7A   SING N N 2   
01A O8A    P3A    DOUB N N 3   
01A O9A    P3A    SING N N 4   
01A P3A    "O3A'" SING N N 5   
01A O9A    HO9A   SING N N 6   
01A "C3A'" "O3A'" SING N N 7   
01A "C2A'" "C3A'" SING N N 8   
01A "C3A'" "C4A'" SING N N 9   
01A "C3A'" "H3A'" SING N N 10  
01A "O2A'" "C2A'" SING N N 11  
01A "C2A'" "C1A'" SING N N 12  
01A "C2A'" "H2A'" SING N N 13  
01A "O2A'" H2AA   SING N N 14  
01A N9A    "C1A'" SING N N 15  
01A "C1A'" "O4A'" SING N N 16  
01A "C1A'" "H1A'" SING N N 17  
01A C8A    N9A    SING Y N 18  
01A N9A    C4A    SING Y N 19  
01A C5A    C4A    SING Y N 20  
01A C4A    N3A    DOUB Y N 21  
01A N7A    C5A    SING Y N 22  
01A C5A    C6A    DOUB N N 23  
01A N6A    C6A    SING N N 24  
01A C6A    N1A    SING N N 25  
01A N6A    HN6A   SING Y N 26  
01A N6A    HN6B   SING N N 27  
01A N1A    C2A    DOUB Y N 28  
01A N3A    C2A    SING Y N 29  
01A C2A    H2A    SING Y N 30  
01A N7A    C8A    DOUB Y N 31  
01A C8A    H8A    SING N N 32  
01A "C4A'" "O4A'" SING N N 33  
01A "C5A'" "C4A'" SING N N 34  
01A "C4A'" "H4A'" SING N N 35  
01A "O5A'" "C5A'" SING N N 36  
01A "C5A'" "H5A'" SING N N 37  
01A "C5A'" H5AA   SING N N 38  
01A P1A    "O5A'" SING N N 39  
01A O1A    P1A    DOUB N N 40  
01A P1A    O2A    SING N N 41  
01A P1A    O3A    SING N N 42  
01A O2A    HO2A   SING N N 43  
01A O3A    P2A    SING N N 44  
01A O4A    P2A    DOUB N N 45  
01A P2A    O6A    SING N N 46  
01A P2A    O5A    SING N N 47  
01A O5A    HO5A   SING N N 48  
01A CCP    O6A    SING N N 49  
01A CBP    CCP    SING N N 50  
01A CCP    HCP    SING N N 51  
01A CCP    HCPA   SING N N 52  
01A CAP    CBP    SING N N 53  
01A CDP    CBP    SING N N 54  
01A CBP    CEP    SING N N 55  
01A CDP    HDP    SING N N 56  
01A CDP    HDPA   SING N N 57  
01A CDP    HDPB   SING N N 58  
01A CEP    HEP    SING N N 59  
01A CEP    HEPA   SING N N 60  
01A CEP    HEPB   SING N N 61  
01A C9P    CAP    SING N N 62  
01A CAP    OAP    SING N N 63  
01A CAP    HAP    SING N N 64  
01A OAP    HOAP   SING N N 65  
01A O9P    C9P    DOUB N N 66  
01A C9P    N8P    SING N N 67  
01A C7P    N8P    SING N N 68  
01A N8P    HN8P   SING N N 69  
01A C6P    C7P    SING N N 70  
01A C7P    H7P    SING N N 71  
01A C7P    H7PA   SING N N 72  
01A C5P    C6P    SING N N 73  
01A C6P    H6P    SING N N 74  
01A C6P    H6PA   SING N N 75  
01A O5P    C5P    DOUB N N 76  
01A C5P    N4P    SING N N 77  
01A C3P    N4P    SING N N 78  
01A N4P    HN4P   SING N N 79  
01A C2P    C3P    SING N N 80  
01A C3P    H3P    SING N N 81  
01A C3P    H3PA   SING N N 82  
01A S1P    C2P    SING N N 83  
01A C2P    H2P    SING N N 84  
01A C2P    H2PA   SING N N 85  
01A S1P    C1     SING N N 86  
01A C1     C      SING N N 87  
01A C1     H1     SING N N 88  
01A C1     H1A    SING N N 89  
01A "C1'"  C      SING N N 90  
01A C      O2     DOUB N N 91  
01A C2     "C1'"  DOUB Y N 92  
01A "C1'"  C6     SING N N 93  
01A C5     C6     DOUB Y N 94  
01A C6     H6     SING N N 95  
01A C4     C5     SING Y N 96  
01A C5     H5     SING N N 97  
01A C3     C2     SING Y N 98  
01A C2     H2     SING Y N 99  
01A C3     C4     DOUB N N 100 
01A C3     H3     SING Y N 101 
01A C4     CL4A   SING N N 102 
# 
loop_
_pdbx_chem_comp_descriptor.comp_id 
_pdbx_chem_comp_descriptor.type 
_pdbx_chem_comp_descriptor.program 
_pdbx_chem_comp_descriptor.program_version 
_pdbx_chem_comp_descriptor.descriptor 
01A SMILES           ACDLabs              10.04 Clc1ccc(cc1)C(=O)CSCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC4OC(n3cnc2c(ncnc23)N)C(O)C4OP(=O)(O)O 
01A InChI            InChI                1.02b 
;InChI=1/C29H41ClN7O17P3S/c1-29(2,24(41)27(42)33-8-7-20(39)32-9-10-58-12-18(38)16-3-5-17(30)6-4-16)13-51-57(48,49)54-56(46,47)50-11-19-23(53-55(43,44)45)22(40)28(52-19)37-15-36-21-25(31)34-14-35-26(21)37/h3-6,14-15,19,22-24,28,40-41H,7-13H2,1-2H3,(H,32,39)(H,33,42)(H,46,47)(H,48,49)(H2,31,34,35)(H2,43,44,45)/t19-,22-,23-,24+,28-/m1/s1/f/h32-33,43-44,46,48H,31H2
;
01A InChIKey         InChI                1.02b JKZHFXZXNBMAGG-XXTWLEHXDH 
01A SMILES_CANONICAL CACTVS               3.341 CC(C)(CO[P@](O)(=O)O[P@](O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O[P](O)(O)=O)n2cnc3c(N)ncnc23)[C@@H](O)C(=O)NCCC(=O)NCCSCC(=O)c4ccc(Cl)cc4 
01A SMILES           CACTVS               3.341 CC(C)(CO[P](O)(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O[P](O)(O)=O)n2cnc3c(N)ncnc23)[CH](O)C(=O)NCCC(=O)NCCSCC(=O)c4ccc(Cl)cc4 
01A SMILES_CANONICAL "OpenEye OEToolkits" 1.5.0 CC(C)(CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSCC(=O)c4ccc(cc4)Cl)O 
01A SMILES           "OpenEye OEToolkits" 1.5.0 CC(C)(COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)C(C(=O)NCCC(=O)NCCSCC(=O)c4ccc(cc4)Cl)O 
# 
loop_
_pdbx_chem_comp_identifier.comp_id 
_pdbx_chem_comp_identifier.type 
_pdbx_chem_comp_identifier.program 
_pdbx_chem_comp_identifier.program_version 
_pdbx_chem_comp_identifier.identifier 
01A "SYSTEMATIC NAME" ACDLabs              10.04 
;[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]methyl (3R)-4-({3-[(2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-3-hydroxy-2,2-dimethyl-4-oxobutyl dihydrogen diphosphate (non-preferred name)
;
01A "SYSTEMATIC NAME" "OpenEye OEToolkits" 1.5.0 
"[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxy-oxolan-2-yl]methyl [[(3R)-4-[[3-[2-[2-(4-chlorophenyl)-2-oxo-ethyl]sulfanylethylamino]-3-oxo-propyl]amino]-3-hydroxy-2,2-dimethyl-4-oxo-butoxy]-hydroxy-phosphoryl] hydrogen phosphate" 
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