|
| Ligand ID | V79 |
| InChI | InChI=1S/C34H36N4O6.Cu/c1-7-19-15(3)23-12-25-17(5)21(9-10-29(39)40)32(37-25)22(11-30(41)42)33-31(34(43)44)18(6)26(38-33)14-28-20(8-2)16(4)24(36-28)13-27(19)35-23;/h7,12-14,17,21H,1,8-11H2,2-6H3,(H5,35,36,37,38,39,40,41,42,43,44);/q;+4/p-2/t17-,21+;/m0./s1 |
| InChIKey | YJPOIBSDHKWDGX-CQVJSGDESA-L |
| SMILES | | Software | SMILES |
|---|
| OpenEye OEToolkits 2.0.7 | CCC1=C(c2cc3c(c(c4n3[Cu]56[n+]2c1cc7n5c(c(c8[n+]6c(c4)C(C8CCC(=O)O)C)CC(=O)O)c(c7C)C(=O)O)C)C=C)C | | CACTVS 3.385 | CCC1=C(C)C2=Cc3n4c(C=C5[CH](C)[CH](CCC(O)=O)C6=[N+]5[Cu]47[N]8C(=CC1=[N+]27)C(=C(C(O)=O)C8=C6CC(O)=O)C)c(C)c3C=C | | CACTVS 3.385 | CCC1=C(C)C2=Cc3n4c(C=C5[C@@H](C)[C@@H](CCC(O)=O)C6=[N@+]5[Cu@@]47[N@]8C(=CC1=[N@@+]27)C(=C(C(O)=O)C8=C6CC(O)=O)C)c(C)c3C=C |
|
| Formula | C34 H34 Cu N4 O6 |
| Name | copper;
trisodium;
18-(2-carboxylatoethyl)-20-(carboxylatomethyl)-12-ethenyl-7-ethyl-3,8,13,17-tetramethyl-17,18-dihydroporphyrin-21,23-diide-2-carboxylate |
| ChEMBL | |
| DrugBank | |
| ZINC |
|
| PDB chain | 8x7p Chain C Residue 201
[Download ligand structure]
[Download structure with residue number starting from 1]
[View ligand structure]
|
|
|
