HIT ID: HIT212714462
Cas No: 1192760-33-0
分子式: C26H35NO5S
分子量: 473.63
常用名: Aganepag ethanediol
氢键受体数 (HBA): 4
氢键供体数 (HBD): 2
LogP: 5.1282134
IUPAC: 2-hydroxyethyl 5-{3-[(2S)-1-{4-[(1S)-1-hydroxyhexyl]phenyl}-5-oxopyrrolidin-2-yl]propyl}thiophene-2-carboxylate
IUPAC: 2-hydroxyethyl 5-{3-[(2S)-1-{4-[(1S)-1-hydroxyhexyl]phenyl}-5-oxopyrrolidin-2-yl]propyl}thiophene-2-carboxylate
SMILES: CCCCC[C@H](O)c1ccc(cc1)N1[C@@H](CCCc2ccc(s2)C(=O)OCCO)CCC1=O
SMILES: CCCCC[C@H](O)c1ccc(cc1)N1[C@@H](CCCc2ccc(s2)C(=O)OCCO)CCC1=O
InChI key: VTFVKRFGCDQSBY-REWPJTCUSA-N
