(3S)-3-{[(3S,6S,9R,15S,18R,21S,24S,30S,31R)-3-[2-(2-aminophenyl)-2-oxoethyl]-24-(3-aminopropyl)-15,21-bis(carboxymethyl)-6-[(2R)-1-carboxypropan-2-yl]-9-(hydroxymethyl)-18,31-dimethyl-2,5,8,11,14,17,20,23,26,29-decaoxo-1-oxa-4,7,10,13,16,19,22,25,28-nonaazacyclohentriacontan-30-yl]carbamoyl}-3-[(2R)-3-carbamoyl-2-[(2S)-2-decanamido-3-(1H-indol-3-yl)propanamido]propanamido]propanoic acid

化合物标识与属性

CAS

103060-53-3

PubChem CID

176448127

SMILES

CCCCCCCCCC(=N[C@@H](CC1=CNC2=CC=CC=C21)C(=N[C@H](CC(=N)O)C(=N[C@@H](CC(=O)O)C(=NC3[C@H](OC(=O)[C@@H](N=C([C@@H](N=C([C@H](N=C(CN=C([C@@H](N=C([C@H](N=C([C@@H](N=C([C@@H](N=C(CN=C3O)O)CCCN)O)CC(=O)O)O)C)O)CC(=O)O)O)O)CO)O)[C@H](C)CC(=O)O)O)CC(=O)C4=CC=CC=C4N)C)O)O)O)O

Canonical SMILES

CCCCCCCCCC(O)=N[C@@H](Cc1c[nH]c2ccccc12)C(O)=N[C@H](CC(=N)O)C(O)=N[C@@H](CC(=O)O)C(O)=NC1C(O)=NCC(O)=N[C@@H](CCCN)C(O)=N[C@@H](CC(=O)O)C(O)=N[C@H](C)C(O)=N[C@@H](CC(=O)O)C(O)=NCC(O)=N[C@H](CO)C(O)=N[C@@H]([C@H](C)CC(=O)O)C(O)=N[C@@H](CC(=O)c2ccccc2N)C(=O)O[C@@H]1C