CGP-62198A
HIT212682385
sdf文件结构编辑类似物检索
HIT ID: HIT212682385
Cas No: 180183-51-1
分子式: C35H60N4O6
分子量: 632.887
常用名: CGP-62198A
氢键受体数 (HBA): 8
氢键供体数 (HBD): 4
LogP: 2.8429146
IUPAC: (2S,4S,5S,7S)-N-[2-(4-acetylpiperidin-1-yl)ethyl]-5-amino-4-hydroxy-7-({[2-(4-methoxybutoxy)phenyl]formamido}methyl)-8-methyl-2-(propan-2-yl)nonanamide
IUPAC: (2S,4S,5S,7S)-N-[2-(4-acetylpiperidin-1-yl)ethyl]-5-amino-4-hydroxy-7-({[2-(4-methoxybutoxy)phenyl]formamido}methyl)-8-methyl-2-(propan-2-yl)nonanamide
SMILES: COCCCCOc1ccccc1C(=O)NC[C@@H](C[C@H](N)[C@@H](O)C[C@@H](C(C)C)C(=O)NCCN1CCC(CC1)C(C)=O)C(C)C
SMILES: COCCCCOc1ccccc1C(=O)NC[C@@H](C[C@H](N)[C@@H](O)C[C@@H](C(C)C)C(=O)NCCN1CCC(CC1)C(C)=O)C(C)C
InChI key: VIAAWDWVNPPLNU-DNUNIWOASA-N
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