HIT ID: HIT212682453
Cas No: 207736-05-8
分子式: C28H37NO4S
分子量: 483.67
常用名: CI-1029
氢键受体数 (HBA): 4
氢键供体数 (HBD): 3
LogP: 5.2429333
IUPAC: (6S)-6-[2-(4-aminophenyl)ethyl]-3-{[2-tert-butyl-4-(hydroxymethyl)-5-methylphenyl]sulfanyl}-4-hydroxy-6-(propan-2-yl)-5,6-dihydro-2H-pyran-2-one
IUPAC: (6S)-6-[2-(4-aminophenyl)ethyl]-3-{[2-tert-butyl-4-(hydroxymethyl)-5-methylphenyl]sulfanyl}-4-hydroxy-6-(propan-2-yl)-5,6-dihydro-2H-pyran-2-one
SMILES: CC(C)[C@]1(CCc2ccc(N)cc2)CC(O)=C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O1 |t:16|
SMILES: CC(C)[C@]1(CCc2ccc(N)cc2)CC(O)=C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O1 |t:16|
InChI key: ZUBPKHVCBGWWGO-NDEPHWFRSA-N
