Argatroban
HIT211998920
sdf文件结构编辑类似物检索
HIT ID: HIT211998920
Cas No: 74863-84-6
分子式: C23H36N6O5S
分子量: 508.64
常用名: Argatroban
氢键受体数 (HBA): 9
氢键供体数 (HBD): 6
LogP: -0.91570914
IUPAC: (2R,4R)-1-[(2S)-5-carbamimidamido-2-(3-methyl-1,2,3,4-tetrahydroquinoline-8-sulfonamido)pentanoyl]-4-methylpiperidine-2-carboxylic acid
IUPAC: (2R,4R)-1-[(2S)-5-carbamimidamido-2-(3-methyl-1,2,3,4-tetrahydroquinoline-8-sulfonamido)pentanoyl]-4-methylpiperidine-2-carboxylic acid
SMILES: C[C@@H]1CCN([C@H](C1)C(O)=O)C(=O)[C@H](CCCNC(N)=N)NS(=O)(=O)c1cccc2CC(C)CNc12
SMILES: C[C@@H]1CCN([C@H](C1)C(O)=O)C(=O)[C@H](CCCNC(N)=N)NS(=O)(=O)c1cccc2CC(C)CNc12
InChI key: KXNPVXPOPUZYGB-IOVMHBDKSA-N
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SC
1621-3天100.00% 购物车
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BB
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