Daglutril
HIT212712459
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HIT ID: HIT212712459
Cas No: 182821-27-8
分子式: C31H38N2O6
分子量: 534.653
常用名: Daglutril
氢键受体数 (HBA): 5
氢键供体数 (HBD): 2
LogP: 5.006609
IUPAC: 2-[(3S)-3-{1-[(2R)-3-ethoxy-3-oxo-2-(2-phenylethyl)propyl]cyclopentaneamido}-2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepin-1-yl]acetic acid
IUPAC: 2-[(3S)-3-{1-[(2R)-3-ethoxy-3-oxo-2-(2-phenylethyl)propyl]cyclopentaneamido}-2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepin-1-yl]acetic acid
SMILES: CCOC(=O)[C@H](CCc1ccccc1)CC1(CCCC1)C(=O)N[C@H]1CCc2ccccc2N(CC(O)=O)C1=O
SMILES: CCOC(=O)[C@H](CCc1ccccc1)CC1(CCCC1)C(=O)N[C@H]1CCc2ccccc2N(CC(O)=O)C1=O
InChI key: XMQODGUTLZXUGZ-RPBOFIJWSA-N
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