Trandolapril D5
HIT212671545
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HIT ID: HIT212671545
Cas No: 1356847-98-7
分子式: C24H34N2O5
分子量: 435.576
常用名: Trandolapril D5
氢键受体数 (HBA): 5
氢键供体数 (HBD): 2
LogP: 1.9473588
IUPAC: (2S,3aR,7aS)-1-[(2S)-2-{[(2S)-1-ethoxy-1-oxo-4-[(2,3,4,5,6-2H5)phenyl]butan-2-yl]amino}propanoyl]-octahydro-1H-indole-2-carboxylic acid
IUPAC: (2S,3aR,7aS)-1-[(2S)-2-{[(2S)-1-ethoxy-1-oxo-4-[(2,3,4,5,6-2H5)phenyl]butan-2-yl]amino}propanoyl]-octahydro-1H-indole-2-carboxylic acid
SMILES: [H][C@@]12C[C@H](N(C(=O)[C@H](C)N[C@@H](CCc3c([2H])c([2H])c([2H])c([2H])c3[2H])C(=O)OCC)[C@@]1([H])CCCC2)C(O)=O
SMILES: [H][C@@]12C[C@H](N(C(=O)[C@H](C)N[C@@H](CCc3c([2H])c([2H])c([2H])c([2H])c3[2H])C(=O)OCC)[C@@]1([H])CCCC2)C(O)=O
InChI key: VXFJYXUZANRPDJ-YFCLCGKXSA-N
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