|
| Ligand ID | A1AAM |
| InChI | InChI=1S/C27H34N4O5/c32-25(33)23(19-7-9-28-15-19)13-17-3-1-5-21(11-17)30-27(36)31-22-6-2-4-18(12-22)14-24(26(34)35)20-8-10-29-16-20/h1-6,11-12,19-20,23-24,28-29H,7-10,13-16H2,(H,32,33)(H,34,35)(H2,30,31,36)/t19-,20-,23-,24-/m0/s1 |
| InChIKey | HICCAHJBPZUBFA-TZYAJKAJSA-N |
| SMILES | | Software | SMILES |
|---|
| CACTVS 3.385 | OC(=O)[CH](Cc1cccc(NC(=O)Nc2cccc(C[CH]([CH]3CCNC3)C(O)=O)c2)c1)[CH]4CCNC4 | | ACDLabs 12.01 | O=C(O)C(Cc1cc(ccc1)NC(=O)Nc1cc(CC(C2CCNC2)C(=O)O)ccc1)C1CCNC1 | | OpenEye OEToolkits 2.0.7 | c1cc(cc(c1)NC(=O)Nc2cccc(c2)C[C@@H]([C@H]3CCNC3)C(=O)O)C[C@@H]([C@H]4CCNC4)C(=O)O | | OpenEye OEToolkits 2.0.7 | c1cc(cc(c1)NC(=O)Nc2cccc(c2)CC(C3CCNC3)C(=O)O)CC(C4CCNC4)C(=O)O | | CACTVS 3.385 | OC(=O)[C@@H](Cc1cccc(NC(=O)Nc2cccc(C[C@@H]([C@H]3CCNC3)C(O)=O)c2)c1)[C@H]4CCNC4 |
|
| Formula | C27 H34 N4 O5 |
| Name | (2S,2'S)-3,3'-[carbonylbis(azanediyl-3,1-phenylene)]bis{2-[(3R)-pyrrolidin-1-ium-3-yl]propanoate};
LY3441732 |
| ChEMBL | |
| DrugBank | |
| ZINC |
|
| PDB chain | 8v9b Chain B Residue 101
[Download ligand structure]
[Download structure with residue number starting from 1]
[View ligand structure]
|
|
|
