data_TS2
# 
_chem_comp.id                                    TS2 
_chem_comp.name                                  "2-AMINO-4-[4-(4-AMINO-4-CARBOXY-BUTYRYLAMINO)-5,8,19,22-TETRAOXO-1,2-DITHIA-6,9,13,18,21-PENTAAZA-CYCLOTETRACOS-23-YLCARBAMOYL]-BUTYRIC ACID" 
_chem_comp.type                                  NON-POLYMER 
_chem_comp.pdbx_type                             HETAIN 
_chem_comp.formula                               "C27 H47 N9 O10 S2" 
_chem_comp.mon_nstd_parent_comp_id               ? 
_chem_comp.pdbx_synonyms                         "RING WITH GLUTATHIONE AND SPERMIDINE" 
_chem_comp.pdbx_formal_charge                    0 
_chem_comp.pdbx_initial_date                     1999-07-08 
_chem_comp.pdbx_modified_date                    2008-10-14 
_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                        721.846 
_chem_comp.one_letter_code                       ? 
_chem_comp.three_letter_code                     TS2 
_chem_comp.pdbx_model_coordinates_details        ? 
_chem_comp.pdbx_model_coordinates_missing_flag   N 
_chem_comp.pdbx_ideal_coordinates_details        ? 
_chem_comp.pdbx_ideal_coordinates_missing_flag   N 
_chem_comp.pdbx_model_coordinates_db_code        3GRT 
_chem_comp.pdbx_subcomponent_list                ? 
_chem_comp.pdbx_processing_site                  EBI 
# 
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 
TS2 N1     N1     N 0 1 N N N 69.163 36.142 18.753 -3.501 0.584  9.323   N1     TS2 1  
TS2 CA1    CA1    C 0 1 N N S 69.396 35.426 17.471 -3.741 -0.697 8.647   CA1    TS2 2  
TS2 C1     C1     C 0 1 N N N 69.744 36.390 16.315 -3.461 -1.829 9.602   C1     TS2 3  
TS2 OE1    OE1    O 0 1 N N N 69.886 37.604 16.593 -2.632 -1.694 10.471  OE1    TS2 4  
TS2 OE2    OE2    O 0 1 N N N 69.913 35.932 15.154 -4.130 -2.986 9.486   OE2    TS2 5  
TS2 CB1    CB1    C 0 1 N N N 68.181 34.578 17.138 -2.819 -0.813 7.432   CB1    TS2 6  
TS2 CG1    CG1    C 0 1 N N N 67.096 35.285 16.349 -3.104 0.335  6.463   CG1    TS2 7  
TS2 CD1    CD1    C 0 1 N N N 66.428 36.458 17.073 -2.195 0.220  5.266   CD1    TS2 8  
TS2 O1     O1     O 0 1 N N N 67.053 37.284 17.754 -1.398 -0.690 5.196   O1     TS2 9  
TS2 N2     N2     N 0 1 N N N 65.116 36.516 16.910 -2.269 1.130  4.275   N2     TS2 10 
TS2 CA2    CA2    C 0 1 N N R 64.309 37.575 17.480 -1.385 1.018  3.112   CA2    TS2 11 
TS2 C2     C2     C 0 1 N N N 62.900 37.006 17.658 -0.111 1.779  3.374   C2     TS2 12 
TS2 O2     O2     O 0 1 N N N 62.270 37.165 18.729 0.210  2.708  2.664   O2     TS2 13 
TS2 CB2    CB2    C 0 1 N N N 64.283 38.717 16.473 -2.084 1.603  1.882   CB2    TS2 14 
TS2 SG2    SG2    S 0 1 N N N 62.687 39.576 16.375 -2.810 0.259  0.903   SG2    TS2 15 
TS2 N3     N3     N 0 1 N N N 62.445 36.340 16.584 0.675  1.402  4.425   N3     TS2 16 
TS2 CA3    CA3    C 0 1 N N N 61.141 35.692 16.448 1.907  2.200  4.615   CA3    TS2 17 
TS2 C3     C3     C 0 1 N N N 60.281 35.544 17.673 3.099  1.322  4.329   C3     TS2 18 
TS2 O3     O3     O 0 1 N N N 59.308 36.288 17.867 3.111  0.166  4.694   O3     TS2 19 
TS2 N4     N4     N 0 1 N N N 61.574 41.476 21.764 0.519  -1.170 -4.157  N4     TS2 20 
TS2 CA4    CA4    C 0 1 N N N 60.706 41.887 22.864 1.732  -2.001 -4.012  CA4    TS2 21 
TS2 C4     C4     C 0 1 N N N 59.593 40.981 23.406 2.816  -1.168 -3.378  C4     TS2 22 
TS2 O4     O4     O 0 1 N N N 58.446 41.421 23.405 2.601  -0.018 -3.058  O4     TS2 23 
TS2 C5     C5     C 0 1 N N N 62.019 42.294 20.806 -0.334 -1.151 -3.098  C5     TS2 24 
TS2 O5     O5     O 0 1 N N N 61.725 43.497 20.728 -0.093 -1.799 -2.102  O5     TS2 25 
TS2 CA5    CA5    C 0 1 N N R 62.917 41.666 19.734 -1.585 -0.314 -3.180  CA5    TS2 26 
TS2 N5     N5     N 0 1 N N N 63.280 40.237 19.915 -2.356 -0.702 -4.364  N5     TS2 27 
TS2 CB5    CB5    C 0 1 N N N 62.213 41.882 18.392 -2.431 -0.538 -1.925  CB5    TS2 28 
TS2 SG5    SG5    S 0 1 N N N 63.182 41.491 16.901 -2.539 1.009  -0.985  SG5    TS2 29 
TS2 CA6    CA6    C 0 1 N N S 64.572 37.028 23.097 -3.293 -0.043 -9.192  CA6    TS2 30 
TS2 C6     C6     C 0 1 N N N 63.367 37.739 23.779 -2.860 0.790  -10.370 C6     TS2 31 
TS2 OE6    OE6    O 0 1 N N N 62.852 37.119 24.746 -1.959 0.411  -11.080 OE6    TS2 32 
TS2 OE7    OE7    O 0 1 N N N 62.922 38.853 23.373 -3.474 1.956  -10.629 OE7    TS2 33 
TS2 N6     N6     N 0 1 N N N 64.195 35.684 22.534 -3.058 -1.463 -9.486  N6     TS2 34 
TS2 CB6    CB6    C 0 1 N N N 65.289 37.905 22.052 -2.489 0.361  -7.956  CB6    TS2 35 
TS2 CG6    CG6    C 0 1 N N N 64.442 38.315 20.843 -2.929 -0.485 -6.760  CG6    TS2 36 
TS2 CD6    CD6    C 0 1 N N N 64.169 39.819 20.819 -2.137 -0.086 -5.542  CD6    TS2 37 
TS2 O6     O6     O 0 1 N N N 64.744 40.581 21.608 -1.302 0.789  -5.623  O6     TS2 38 
TS2 "N1'"  "N1'"  N 0 1 N N N 59.958 39.750 23.821 4.044  -1.728 -3.169  "N1'"  TS2 39 
TS2 "C1'"  "C1'"  C 0 1 N N N 59.125 38.680 24.387 5.049  -0.837 -2.546  "C1'"  TS2 40 
TS2 "C2'"  "C2'"  C 0 1 N N N 59.867 37.317 24.728 5.959  -1.677 -1.648  "C2'"  TS2 41 
TS2 "N2'"  "N2'"  N 0 1 N N N 59.634 35.923 22.427 7.860  -0.632 -0.511  "N2'"  TS2 42 
TS2 "C3'"  "C3'"  C 0 1 N N N 60.431 36.563 23.486 7.403  -1.191 -1.790  "C3'"  TS2 43 
TS2 "C4'"  "C4'"  C 0 1 N N N 59.740 34.480 22.737 6.782  0.237  -0.020  "C4'"  TS2 44 
TS2 "C5'"  "C5'"  C 0 1 N N N 60.857 33.667 22.009 6.657  0.085  1.497   "C5'"  TS2 45 
TS2 "C6'"  "C6'"  C 0 1 N N N 60.456 33.179 20.587 5.948  1.310  2.076   "C6'"  TS2 46 
TS2 "C7'"  "C7'"  C 0 1 N N N 59.888 34.319 19.758 5.299  0.939  3.411   "C7'"  TS2 47 
TS2 "N3'"  "N3'"  N 0 1 N N N 60.630 34.586 18.525 4.160  1.846  3.658   "N3'"  TS2 48 
TS2 HN11   1HN1   H 0 0 N N N 68.933 35.505 19.516 -3.600 1.304  8.623   HN11   TS2 49 
TS2 HN12   2HN1   H 0 0 N N N 68.449 36.863 18.647 -2.533 0.585  9.607   HN12   TS2 50 
TS2 HA1    HA1    H 0 1 N N N 70.283 34.762 17.598 -4.780 -0.746 8.321   HA1    TS2 51 
TS2 HO2    HO2    H 0 1 N N N 70.127 36.524 14.443 -3.950 -3.713 10.098  HO2    TS2 52 
TS2 HB11   1HB1   H 0 0 N N N 68.495 33.648 16.609 -1.780 -0.764 7.759   HB11   TS2 53 
TS2 HB12   2HB1   H 0 0 N N N 67.753 34.138 18.069 -2.997 -1.765 6.931   HB12   TS2 54 
TS2 HG11   1HG1   H 0 0 N N N 67.493 35.618 15.361 -4.143 0.285  6.137   HG11   TS2 55 
TS2 HG12   2HG1   H 0 0 N N N 66.326 34.552 16.011 -2.926 1.286  6.965   HG12   TS2 56 
TS2 HN2    HN2    H 0 1 N N N 64.731 35.753 16.351 -2.906 1.859  4.332   HN2    TS2 57 
TS2 HA2    HA2    H 0 1 N N N 64.704 37.942 18.455 -1.152 -0.030 2.932   HA2    TS2 58 
TS2 HB21   1HB2   H 0 0 N N N 65.105 39.440 16.679 -2.872 2.285  2.202   HB21   TS2 59 
TS2 HB22   2HB2   H 0 0 N N N 64.597 38.358 15.465 -1.359 2.144  1.275   HB22   TS2 60 
TS2 HN3    HN3    H 0 1 N N N 63.129 36.325 15.827 0.441  0.663  5.008   HN3    TS2 61 
TS2 HA31   1HA3   H 0 0 N N N 60.556 36.217 15.656 1.955  2.560  5.642   HA31   TS2 62 
TS2 HA32   2HA3   H 0 0 N N N 61.282 34.689 15.981 1.904  3.047  3.928   HA32   TS2 63 
TS2 HN4    HN4    H 0 1 N N N 61.904 40.517 21.653 0.341  -0.665 -4.966  HN4    TS2 64 
TS2 HA41   1HA4   H 0 0 N N N 61.358 42.173 23.721 1.513  -2.860 -3.378  HA41   TS2 65 
TS2 HA42   2HA4   H 0 0 N N N 60.243 42.862 22.585 2.061  -2.342 -4.994  HA42   TS2 66 
TS2 HA5    HA5    H 0 1 N N N 63.907 42.174 19.802 -1.314 0.738  -3.252  HA5    TS2 67 
TS2 HN5    HN5    H 0 1 N N N 62.882 39.472 19.368 -3.023 -1.403 -4.300  HN5    TS2 68 
TS2 HB51   1HB5   H 0 0 N N N 61.252 41.316 18.375 -1.968 -1.307 -1.307  HB51   TS2 69 
TS2 HB52   2HB5   H 0 0 N N N 61.832 42.928 18.330 -3.432 -0.858 -2.214  HB52   TS2 70 
TS2 HA6    HA6    H 0 1 N N N 65.313 36.851 23.910 -4.355 0.117  -9.004  HA6    TS2 71 
TS2 HO7    HO7    H 0 1 N N N 62.186 39.287 23.789 -3.195 2.491  -11.385 HO7    TS2 72 
TS2 HN61   1HN6   H 0 0 N N N 64.984 35.218 22.087 -2.068 -1.565 -9.652  HN61   TS2 73 
TS2 HN62   2HN6   H 0 0 N N N 63.402 35.760 21.896 -3.263 -1.972 -8.639  HN62   TS2 74 
TS2 HB61   1HB6   H 0 0 N N N 65.717 38.810 22.542 -2.663 1.415  -7.738  HB61   TS2 75 
TS2 HB62   2HB6   H 0 0 N N N 66.224 37.403 21.710 -1.427 0.200  -8.144  HB62   TS2 76 
TS2 HG61   1HG6   H 0 0 N N N 64.906 37.972 19.888 -2.755 -1.539 -6.978  HG61   TS2 77 
TS2 HG62   2HG6   H 0 0 N N N 63.493 37.730 20.796 -3.991 -0.324 -6.572  HG62   TS2 78 
TS2 "HN1'" "'HN1" H 0 0 N N N 60.961 39.615 23.694 4.243  -2.646 -3.412  "HN1'" TS2 79 
TS2 "H1'1" "1H1'" H 0 0 N N N 58.592 39.055 25.291 5.644  -0.357 -3.323  "H1'1" TS2 80 
TS2 "H1'2" "2H1'" H 0 0 N N N 58.260 38.479 23.712 4.544  -0.079 -1.948  "H1'2" TS2 81 
TS2 "H2'1" "1H2'" H 0 0 N N N 60.674 37.490 25.477 5.641  -1.575 -0.611  "H2'1" TS2 82 
TS2 "H2'2" "2H2'" H 0 0 N N N 59.199 36.647 25.318 5.898  -2.724 -1.946  "H2'2" TS2 83 
TS2 "HN2'" "'HN2" H 0 0 N N N 59.914 36.172 21.478 7.927  -1.404 0.135   "HN2'" TS2 84 
TS2 "H3'1" "1H3'" H 0 0 N N N 61.122 37.272 22.974 8.043  -2.028 -2.069  "H3'1" TS2 85 
TS2 "H3'2" "2H3'" H 0 0 N N N 61.118 35.778 23.879 7.454  -0.422 -2.561  "H3'2" TS2 86 
TS2 "H4'1" "1H4'" H 0 0 N N N 59.845 34.346 23.838 7.013  1.274  -0.263  "H4'1" TS2 87 
TS2 "H4'2" "2H4'" H 0 0 N N N 58.753 33.991 22.560 5.842  -0.047 -0.493  "H4'2" TS2 88 
TS2 "H5'1" "1H5'" H 0 0 N N N 61.805 34.251 21.969 6.080  -0.810 1.725   "H5'1" TS2 89 
TS2 "H5'2" "2H5'" H 0 0 N N N 61.191 32.809 22.638 7.651  -0.001 1.936   "H5'2" TS2 90 
TS2 "H6'1" "1H6'" H 0 0 N N N 61.307 32.679 20.069 6.672  2.109  2.234   "H6'1" TS2 91 
TS2 "H6'2" "2H6'" H 0 0 N N N 59.753 32.314 20.632 5.180  1.648  1.380   "H6'2" TS2 92 
TS2 "H7'1" "1H7'" H 0 0 N N N 58.809 34.141 19.535 4.943  -0.090 3.371   "H7'1" TS2 93 
TS2 "H7'2" "2H7'" H 0 0 N N N 59.803 35.245 20.372 6.029  1.044  4.213   "H7'2" TS2 94 
TS2 "HN3'" "'HN3" H 0 0 N N N 61.456 34.062 18.236 4.169  2.768  3.357   "HN3'" TS2 95 
# 
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 
TS2 N1    CA1    SING N N 1  
TS2 N1    HN11   SING N N 2  
TS2 N1    HN12   SING N N 3  
TS2 CA1   C1     SING N N 4  
TS2 CA1   CB1    SING N N 5  
TS2 CA1   HA1    SING N N 6  
TS2 C1    OE1    DOUB N N 7  
TS2 C1    OE2    SING N N 8  
TS2 OE2   HO2    SING N N 9  
TS2 CB1   CG1    SING N N 10 
TS2 CB1   HB11   SING N N 11 
TS2 CB1   HB12   SING N N 12 
TS2 CG1   CD1    SING N N 13 
TS2 CG1   HG11   SING N N 14 
TS2 CG1   HG12   SING N N 15 
TS2 CD1   O1     DOUB N N 16 
TS2 CD1   N2     SING N N 17 
TS2 N2    CA2    SING N N 18 
TS2 N2    HN2    SING N N 19 
TS2 CA2   C2     SING N N 20 
TS2 CA2   CB2    SING N N 21 
TS2 CA2   HA2    SING N N 22 
TS2 C2    O2     DOUB N N 23 
TS2 C2    N3     SING N N 24 
TS2 CB2   SG2    SING N N 25 
TS2 CB2   HB21   SING N N 26 
TS2 CB2   HB22   SING N N 27 
TS2 SG2   SG5    SING N N 28 
TS2 N3    CA3    SING N N 29 
TS2 N3    HN3    SING N N 30 
TS2 CA3   C3     SING N N 31 
TS2 CA3   HA31   SING N N 32 
TS2 CA3   HA32   SING N N 33 
TS2 C3    O3     DOUB N N 34 
TS2 C3    "N3'"  SING N N 35 
TS2 N4    CA4    SING N N 36 
TS2 N4    C5     SING N N 37 
TS2 N4    HN4    SING N N 38 
TS2 CA4   C4     SING N N 39 
TS2 CA4   HA41   SING N N 40 
TS2 CA4   HA42   SING N N 41 
TS2 C4    O4     DOUB N N 42 
TS2 C4    "N1'"  SING N N 43 
TS2 C5    O5     DOUB N N 44 
TS2 C5    CA5    SING N N 45 
TS2 CA5   N5     SING N N 46 
TS2 CA5   CB5    SING N N 47 
TS2 CA5   HA5    SING N N 48 
TS2 N5    CD6    SING N N 49 
TS2 N5    HN5    SING N N 50 
TS2 CB5   SG5    SING N N 51 
TS2 CB5   HB51   SING N N 52 
TS2 CB5   HB52   SING N N 53 
TS2 CA6   C6     SING N N 54 
TS2 CA6   N6     SING N N 55 
TS2 CA6   CB6    SING N N 56 
TS2 CA6   HA6    SING N N 57 
TS2 C6    OE6    DOUB N N 58 
TS2 C6    OE7    SING N N 59 
TS2 OE7   HO7    SING N N 60 
TS2 N6    HN61   SING N N 61 
TS2 N6    HN62   SING N N 62 
TS2 CB6   CG6    SING N N 63 
TS2 CB6   HB61   SING N N 64 
TS2 CB6   HB62   SING N N 65 
TS2 CG6   CD6    SING N N 66 
TS2 CG6   HG61   SING N N 67 
TS2 CG6   HG62   SING N N 68 
TS2 CD6   O6     DOUB N N 69 
TS2 "N1'" "C1'"  SING N N 70 
TS2 "N1'" "HN1'" SING N N 71 
TS2 "C1'" "C2'"  SING N N 72 
TS2 "C1'" "H1'1" SING N N 73 
TS2 "C1'" "H1'2" SING N N 74 
TS2 "C2'" "C3'"  SING N N 75 
TS2 "C2'" "H2'1" SING N N 76 
TS2 "C2'" "H2'2" SING N N 77 
TS2 "N2'" "C3'"  SING N N 78 
TS2 "N2'" "C4'"  SING N N 79 
TS2 "N2'" "HN2'" SING N N 80 
TS2 "C3'" "H3'1" SING N N 81 
TS2 "C3'" "H3'2" SING N N 82 
TS2 "C4'" "C5'"  SING N N 83 
TS2 "C4'" "H4'1" SING N N 84 
TS2 "C4'" "H4'2" SING N N 85 
TS2 "C5'" "C6'"  SING N N 86 
TS2 "C5'" "H5'1" SING N N 87 
TS2 "C5'" "H5'2" SING N N 88 
TS2 "C6'" "C7'"  SING N N 89 
TS2 "C6'" "H6'1" SING N N 90 
TS2 "C6'" "H6'2" SING N N 91 
TS2 "C7'" "N3'"  SING N N 92 
TS2 "C7'" "H7'1" SING N N 93 
TS2 "C7'" "H7'2" SING N N 94 
TS2 "N3'" "HN3'" SING N N 95 
# 
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 
TS2 SMILES           ACDLabs              10.04 O=C(O)C(N)CCC(=O)NC1C(=O)NCC(=O)NCCCCNCCCNC(=O)CNC(=O)C(NC(=O)CCC(C(=O)O)N)CSSC1 
TS2 InChI            InChI                1.02b 
;InChI=1/C27H47N9O10S2/c28-16(26(43)44)4-6-20(37)35-18-14-47-48-15-19(36-21(38)7-5-17(29)27(45)46)25(42)34-13-23(40)32-11-3-9-30-8-1-2-10-31-22(39)12-33-24(18)41/h16-19,30H,1-15,28-29H2,(H,31,39)(H,32,40)(H,33,41)(H,34,42)(H,35,37)(H,36,38)(H,43,44)(H,45,46)/t16-,17-,18-,19-/m0/s1/f/h31-36,43,45H
;
TS2 InChIKey         InChI                1.02b LZMSXDHGHZKXJD-LPGGKDDXDB 
TS2 SMILES_CANONICAL CACTVS               3.341 N[C@@H](CCC(=O)N[C@H]1CSSC[C@H](NC(=O)CC[C@H](N)C(O)=O)C(=O)NCC(=O)NCCCNCCCCNC(=O)CNC1=O)C(O)=O 
TS2 SMILES           CACTVS               3.341 N[CH](CCC(=O)N[CH]1CSSC[CH](NC(=O)CC[CH](N)C(O)=O)C(=O)NCC(=O)NCCCNCCCCNC(=O)CNC1=O)C(O)=O 
TS2 SMILES_CANONICAL "OpenEye OEToolkits" 1.5.0 C1CCNC(=O)CNC(=O)[C@H](CSSC[C@@H](C(=O)NCC(=O)NCCCNC1)NC(=O)CC[C@@H](C(=O)O)N)NC(=O)CC[C@@H](C(=O)O)N 
TS2 SMILES           "OpenEye OEToolkits" 1.5.0 C1CCNC(=O)CNC(=O)C(CSSCC(C(=O)NCC(=O)NCCCNC1)NC(=O)CCC(C(=O)O)N)NC(=O)CCC(C(=O)O)N 
# 
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 
TS2 "SYSTEMATIC NAME" ACDLabs              10.04 
;(2S,2'S)-5,5'-{[(4R,23R)-5,8,19,22-tetraoxo-1,2-dithia-6,9,13,18,21-pentaazacyclotetracosane-4,23-diyl]diimino}bis(2-amino-5-oxopentanoic acid) (non-preferred name)
;
TS2 "SYSTEMATIC NAME" "OpenEye OEToolkits" 1.5.0 "(2S)-2-amino-5-[[(4R,23R)-4-[[(4S)-4-amino-5-hydroxy-5-oxo-pentanoyl]amino]-5,8,19,22-tetraoxo-1,2-dithia-6,9,13,18,21-pentazacyclotetracos-23-yl]amino]-5-oxo-pentanoic acid" 
# 
