凝血酶 - 代谢酶/蛋白酶 - 按“信号通路”分类 - 小分子和化合物库

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阿加曲班单水合物
- ≥99%(HPLC)
CAS号: 141396-28-3 Compound CID : 92721

分子式: C23H36N6O5S·H2O 分子量: 508.64

IUPAC Name: (2R,4R)-1-[(2S)-5-(diaminomethylideneamino)-2-[(3-methyl-1,2,3,4-tetrahydroquinolin-8-yl)sulfonylamino]pentanoyl]-4-methylpiperidine-2-carboxylic acid;hydrate

SMILES: CC1CCN(C(C1)C(=O)O)C(=O)C(CCCN=C(N)N)NS(=O)(=O)C2=CC=CC3=C2NCC(C3)C.O

InChIKey: AIEZTKLTLCMZIA-CZSXTPSTSA-N

InChI: 1S/C23H36N6O5S.H2O/c1-14-8-10-29(18(12-14)22(31)32)21(30)17(6-4-9-26-23(24)25)28-35(33,34)19-7-3-5-16-11-15(2)13-27-20(16)19;/h3,5,7,14-15,17-18,27-28H,4,6,8-13H2,1-2H3,(H,31,32)(H4,24,25,26);1H2/t14-See more
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