Name: Sitagliptin fenilalanil
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT214435984
Cas No:1339955-03-1
常用名:Sitagliptin fenilalanil
IUPAC:(2S)-2-amino-N-[(2R)-4-oxo-4-[3-(trifluoromethyl)-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-1-(2,4,5-trifluorophenyl)butan-2-yl]-3-phenylpropanamide
IUPAC:(2S)-2-amino-N-[(2R)-4-oxo-4-[3-(trifluoromethyl)-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-1-(2,4,5-trifluorophenyl)butan-2-yl]-3-phenylpropanamide
InChI key:FFZDVHCAHYOEPA-UZLBHIALSA-N

分子式:C25H24F6N6O2
分子量:554.497
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(=O)N1CCn2c(C1)nnc2C(F)(F)F)Cc1cc(F)c(F)cc1F
SMILES:N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(=O)N1CCn2c(C1)nnc2C(F)(F)F)Cc1cc(F)c(F)cc1F

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