HIT ID: HIT212714680
Cas No:
分子式: C44H60N4O10
分子量: 804.982
常用名: Apratyramide
氢键受体数 (HBA): 9
氢键供体数 (HBD): 3
LogP: 5.836984
IUPAC: (1R,2S)-1-{[(1S)-1-{[(1S)-2-(4-hydroxyphenyl)-1-{[(2S)-3-(4-hydroxyphenyl)-1-methoxy-1-oxopropan-2-yl](methyl)carbamoyl}ethyl](methyl)carbamoyl}-2-methylpropyl]carbamoyl}-2-methylbutyl (2S)-2-(dimethylamino)-3-(4-methoxyphenyl)propanoate
IUPAC: (1R,2S)-1-{[(1S)-1-{[(1S)-2-(4-hydroxyphenyl)-1-{[(2S)-3-(4-hydroxyphenyl)-1-methoxy-1-oxopropan-2-yl](methyl)carbamoyl}ethyl](methyl)carbamoyl}-2-methylpropyl]carbamoyl}-2-methylbutyl (2S)-2-(dimethylamino)-3-(4-methoxyphenyl)propanoate
SMILES: CC[C@H](C)[C@@H](OC(=O)[C@H](Cc1ccc(OC)cc1)N(C)C)C(=O)N[C@@H](C(C)C)C(=O)N(C)[C@@H](Cc1ccc(O)cc1)C(=O)N(C)[C@@H](Cc1ccc(O)cc1)C(=O)OC
SMILES: CC[C@H](C)[C@@H](OC(=O)[C@H](Cc1ccc(OC)cc1)N(C)C)C(=O)N[C@@H](C(C)C)C(=O)N(C)[C@@H](Cc1ccc(O)cc1)C(=O)N(C)[C@@H](Cc1ccc(O)cc1)C(=O)OC
InChI key: MOVAFFRTIYGUBZ-IRICIJSBSA-N
