Cyclosomatostatin Acetate
HIT214432553
sdf文件结构编辑类似物检索
HIT ID: HIT214432553
Cas No: T21567L
分子式: C46H61N7O8
分子量: 840.035
常用名: Cyclosomatostatin Acetate
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: (3S,6S,9R,12S)-6-(4-aminobutyl)-12-benzyl-3-[(1R)-1-(benzyloxy)ethyl]-9-[(1H-indol-3-yl)methyl]-1,4,7,10,13-pentaazacycloicosane-2,5,8,11,14-pentone; acetic acid
IUPAC: (3S,6S,9R,12S)-6-(4-aminobutyl)-12-benzyl-3-[(1R)-1-(benzyloxy)ethyl]-9-[(1H-indol-3-yl)methyl]-1,4,7,10,13-pentaazacycloicosane-2,5,8,11,14-pentone; acetic acid
SMILES: CC(O)=O.C[C@@H](OCc1ccccc1)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)CCCCCCNC1=O
SMILES: CC(O)=O.C[C@@H](OCc1ccccc1)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)CCCCCCNC1=O
InChI key: IJKZEUWXCAHBPS-JZXGHADUSA-N
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