Jmv 320
HIT212710846
sdf文件结构编辑类似物检索
HIT ID: HIT212710846
Cas No: 130582-10-4
分子式: C53H67N11O13
分子量: 1066.183
常用名: Jmv 320
氢键受体数 (HBA): 13
氢键供体数 (HBD): 13
LogP: -1.8102214
IUPAC: (3S)-3-{[(1S)-1-carbamoyl-2-phenylethyl]carbamoyl}-3-{[(5S,8S,23S)-23-[(2S)-2-acetamido-3-(4-hydroxyphenyl)propanamido]-5-[(1H-indol-3-yl)methyl]-3,6,14,17,24-pentaoxo-1,4,7,13,18-pentaazacyclotetracosan-8-yl]formamido}propanoic acid
IUPAC: (3S)-3-{[(1S)-1-carbamoyl-2-phenylethyl]carbamoyl}-3-{[(5S,8S,23S)-23-[(2S)-2-acetamido-3-(4-hydroxyphenyl)propanamido]-5-[(1H-indol-3-yl)methyl]-3,6,14,17,24-pentaoxo-1,4,7,13,18-pentaazacyclotetracosan-8-yl]formamido}propanoic acid
SMILES: CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H]1CCCCNC(=O)CCC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)CNC1=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
SMILES: CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H]1CCCCNC(=O)CCC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)CNC1=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
InChI key: CDEXDQIEKQQZDF-KHVQSSSXSA-N
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