HIT ID: HIT212668353
Cas No:
分子式: C44H65N9O8S
分子量: 880.12
常用名: MAC-VC-PABC-ST7612AA1
氢键受体数 (HBA): 8
氢键供体数 (HBD): 9
LogP: 2.2230382
IUPAC: N'-[(1S)-1-{[(1S)-4-(carbamoylamino)-1-{[4-({[(6S)-6-{[(2R)-5-oxopyrrolidin-2-yl]formamido}-6-(phenylcarbamoyl)hexyl]sulfanyl}methyl)phenyl]carbamoyl}butyl]carbamoyl}-2-methylpropyl]-N-methylheptanediamide
IUPAC: N'-[(1S)-1-{[(1S)-4-(carbamoylamino)-1-{[4-({[(6S)-6-{[(2R)-5-oxopyrrolidin-2-yl]formamido}-6-(phenylcarbamoyl)hexyl]sulfanyl}methyl)phenyl]carbamoyl}butyl]carbamoyl}-2-methylpropyl]-N-methylheptanediamide
SMILES: CNC(=O)CCCCCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCNC(N)=O)C(=O)Nc1ccc(CSCCCCC[C@H](NC(=O)[C@H]2CCC(=O)N2)C(=O)Nc2ccccc2)cc1
SMILES: CNC(=O)CCCCCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCNC(N)=O)C(=O)Nc1ccc(CSCCCCC[C@H](NC(=O)[C@H]2CCC(=O)N2)C(=O)Nc2ccccc2)cc1
InChI key: AGOXFXPUYOHJQY-OTGBHNIOSA-N
