HIT ID: HIT219250803
Cas No:
分子式: C41H53FN4O8S2
分子量: 813.01
常用名: trans-VH032-Cyclopropane-F-C-cyclohexane-p-C-OTs
常用名: trans-VH032-Cyclopropane-F-C-cyclohexane-p-C-OTs
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: (4-{[2-({[(2S,4R)-1-[(2S)-2-[(1-fluorocyclopropyl)formamido]-3,3-dimethylbutanoyl]-4-hydroxypyrrolidin-2-yl]formamido}methyl)-5-(4-methyl-1,3-thiazol-5-yl)phenoxy]methyl}cyclohexyl)methyl 4-methylbenzene-1-sulfonate
IUPAC: (4-{[2-({[(2S,4R)-1-[(2S)-2-[(1-fluorocyclopropyl)formamido]-3,3-dimethylbutanoyl]-4-hydroxypyrrolidin-2-yl]formamido}methyl)-5-(4-methyl-1,3-thiazol-5-yl)phenoxy]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)C)c(OCC2CCC(COS(=O)(=O)c3ccc(C)cc3)CC2)c1
SMILES: Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)C2(F)CC2)C(C)(C)C)c(OCC2CCC(COS(=O)(=O)c3ccc(C)cc3)CC2)c1
InChI key: HHBNGOUADOTZEU-ADKRRVBNSA-N
