HIT ID: HIT212035349
Cas No: 110221-44-8
分子式: C23H29ClN2O5S2
分子量: 513.06
常用名: Temocapril hydrochloride
氢键受体数 (HBA): 5
氢键供体数 (HBD): 2
LogP: 2.042777
IUPAC: 2-[(2S,6R)-6-{[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino}-5-oxo-2-(thiophen-2-yl)-1,4-thiazepan-4-yl]acetic acid hydrochloride
IUPAC: 2-[(2S,6R)-6-{[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino}-5-oxo-2-(thiophen-2-yl)-1,4-thiazepan-4-yl]acetic acid hydrochloride
SMILES: Cl.CCOC(=O)[C@H](CCc1ccccc1)N[C@H]1CS[C@@H](CN(CC(O)=O)C1=O)c1cccs1
SMILES: Cl.CCOC(=O)[C@H](CCc1ccccc1)N[C@H]1CS[C@@H](CN(CC(O)=O)C1=O)c1cccs1
InChI key: XDDQNOKKZKHBIX-ASBZXGSUSA-N
