HIT ID: HIT212659641
Cas No: 141396-28-3
分子式: C23H38N6O6S
分子量: 526.65
常用名: Argatroban Monohydrate
氢键受体数 (HBA): 9
氢键供体数 (HBD): 6
LogP: -0.569
IUPAC: (2R,4R)-1-[(2S)-5-carbamimidamido-2-(3-methyl-1,2,3,4-tetrahydroquinoline-8-sulfonamido)pentanoyl]-4-methylpiperidine-2-carboxylic acid hydrate
IUPAC: (2R,4R)-1-[(2S)-5-carbamimidamido-2-(3-methyl-1,2,3,4-tetrahydroquinoline-8-sulfonamido)pentanoyl]-4-methylpiperidine-2-carboxylic acid hydrate
SMILES: O.C[C@@H]1CCN([C@H](C1)C(O)=O)C(=O)[C@H](CCCNC(N)=N)NS(=O)(=O)c1cccc2CC(C)CNc12
SMILES: O.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: AIEZTKLTLCMZIA-CZSXTPSTSA-N
