PS372424
HIT212666622
sdf文件结构编辑类似物检索
HIT ID: HIT212666622
Cas No: 914291-61-5
分子式: C33H44N6O4
分子量: 588.753
常用名: PS372424
氢键受体数 (HBA): 7
氢键供体数 (HBD): 5
LogP: 2.216747
IUPAC: (2S)-5-carbamimidamido-N-(cyclohexylmethyl)-2-{[(3S)-2-(4-oxo-4-phenylbutanoyl)-1,2,3,4-tetrahydroisoquinolin-3-yl]formamido}pentanamide
IUPAC: (2S)-5-carbamimidamido-N-(cyclohexylmethyl)-2-{[(3S)-2-(4-oxo-4-phenylbutanoyl)-1,2,3,4-tetrahydroisoquinolin-3-yl]formamido}pentanamide
SMILES: NC(=N)NCCC[C@H](NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)CCC(=O)c1ccccc1)C(=O)NCC1CCCCC1
SMILES: NC(=N)NCCC[C@H](NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)CCC(=O)c1ccccc1)C(=O)NCC1CCCCC1
InChI key: KEDBAZLDJVHMAV-NSOVKSMOSA-N
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