HIT ID: HIT219251303
Cas No:
分子式: C40H51FN4O7S3
分子量: 815.05
常用名: trans-VH 101-Thiol-C-cyclohexane-p-C-OTs
常用名: trans-VH 101-Thiol-C-cyclohexane-p-C-OTs
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: [4-({[(3R)-3-[(1-fluorocyclopropyl)formamido]-4-[(2S,4R)-4-hydroxy-2-({[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl}carbamoyl)pyrrolidin-1-yl]-2-methyl-4-oxobutan-2-yl]sulfanyl}methyl)cyclohexyl]methyl 4-methylbenzene-1-sulfonate
IUPAC: [4-({[(3R)-3-[(1-fluorocyclopropyl)formamido]-4-[(2S,4R)-4-hydroxy-2-({[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl}carbamoyl)pyrrolidin-1-yl]-2-methyl-4-oxobutan-2-yl]sulfanyl}methyl)cyclohexyl]methyl 4-methylbenzene-1-sulfonate
SMILES: Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)C2(F)CC2)C(C)(C)SCC2CCC(COS(=O)(=O)c3ccc(C)cc3)CC2)cc1
SMILES: Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)C2(F)CC2)C(C)(C)SCC2CCC(COS(=O)(=O)c3ccc(C)cc3)CC2)cc1
InChI key: MJYXGNPHIZWFOL-ORMXHSMKSA-N
