KC-12615
HIT212712972
sdf文件结构编辑类似物检索
HIT ID: HIT212712972
Cas No: 182821-29-0
分子式: C29H34N2O6
分子量: 506.599
常用名: KC-12615
氢键受体数 (HBA): 6
氢键供体数 (HBD): 3
LogP: 4.5039067
IUPAC: (2R)-2-[(1-{[(3S)-1-(carboxymethyl)-2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepin-3-yl]carbamoyl}cyclopentyl)methyl]-4-phenylbutanoic acid
IUPAC: (2R)-2-[(1-{[(3S)-1-(carboxymethyl)-2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepin-3-yl]carbamoyl}cyclopentyl)methyl]-4-phenylbutanoic acid
SMILES: OC(=O)CN1c2ccccc2CC[C@H](NC(=O)C2(C[C@@H](CCc3ccccc3)C(O)=O)CCCC2)C1=O
SMILES: OC(=O)CN1c2ccccc2CC[C@H](NC(=O)C2(C[C@@H](CCc3ccccc3)C(O)=O)CCCC2)C1=O
InChI key: RSRHEOWMSRYTNB-PKTZIBPZSA-N
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