HIT ID: HIT212671621
Cas No:
分子式: C47H70N6O8
分子量: 847.111
常用名: UNC4976
氢键受体数 (HBA): 8
氢键供体数 (HBD): 6
LogP: 4.4039907
IUPAC: methyl (2S)-2-[(2S)-6-({bicyclo[2.2.1]heptan-2-yl}(methyl)amino)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(4-tert-butylphenyl)formamido]-3-phenylpropanamido]propanamido]-4-methylpentanamido]hexanamido]-3-hydroxypropanoate
IUPAC: methyl (2S)-2-[(2S)-6-({bicyclo[2.2.1]heptan-2-yl}(methyl)amino)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(4-tert-butylphenyl)formamido]-3-phenylpropanamido]propanamido]-4-methylpentanamido]hexanamido]-3-hydroxypropanoate
SMILES: COC(=O)[C@H](CO)NC(=O)[C@H](CCCCN(C)C1CC2CCC1C2)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(cc1)C(C)(C)C
SMILES: COC(=O)[C@H](CO)NC(=O)[C@H](CCCCN(C)C1CC2CCC1C2)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(cc1)C(C)(C)C
InChI key: UKWNWTBRKZUHGX-GKUWNYOMSA-N
