HIT ID: HIT212658950
Cas No: 115104-28-4;120443-16-5
分子式: C26H27ClN2O3S2
分子量: 515.08
常用名: MK 571
氢键受体数 (HBA): 4
氢键供体数 (HBD): 1
LogP: 5.6703534
IUPAC: 3-[({3-[(1E)-2-(7-chloroquinolin-2-yl)ethenyl]phenyl}({[2-(dimethylcarbamoyl)ethyl]sulfanyl})methyl)sulfanyl]propanoic acid
IUPAC: 3-[({3-[(1E)-2-(7-chloroquinolin-2-yl)ethenyl]phenyl}({[2-(dimethylcarbamoyl)ethyl]sulfanyl})methyl)sulfanyl]propanoic acid
SMILES: CN(C)C(=O)CCSC(SCCC(O)=O)c1cccc(\C=C\c2ccc3ccc(Cl)cc3n2)c1
SMILES: CN(C)C(=O)CCSC(SCCC(O)=O)c1cccc(\C=C\c2ccc3ccc(Cl)cc3n2)c1
InChI key: AXUZQJFHDNNPFG-UXBLZVDNSA-N
