HIT ID: HIT212655057
Cas No: 1217457-86-7
分子式: C29H34F3N3O5S
分子量: 593.66
常用名: GGTI298 Trifluoroacetate
氢键受体数 (HBA): 4
氢键供体数 (HBD): 4
LogP: 4.057935
IUPAC: methyl (2S)-2-[(4-{[(2R)-2-amino-3-sulfanylpropyl]amino}-2-(naphthalen-1-yl)phenyl)formamido]-4-methylpentanoate; trifluoroacetic acid
IUPAC: methyl (2S)-2-[(4-{[(2R)-2-amino-3-sulfanylpropyl]amino}-2-(naphthalen-1-yl)phenyl)formamido]-4-methylpentanoate; trifluoroacetic acid
SMILES: OC(=O)C(F)(F)F.COC(=O)[C@H](CC(C)C)NC(=O)c1ccc(NC[C@@H](N)CS)cc1-c1cccc2ccccc12
SMILES: OC(=O)C(F)(F)F.COC(=O)[C@H](CC(C)C)NC(=O)c1ccc(NC[C@@H](N)CS)cc1-c1cccc2ccccc12
InChI key: WALKWJPZELDSKT-UFABNHQSSA-N
