Besigliptin Tosylate
HIT214318299
sdf文件结构编辑类似物检索
HIT ID: HIT214318299
Cas No: 1177460-72-8
分子式: C25H36FN5O5S
分子量: 537.65
常用名: Besigliptin Tosylate
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: (3aR,5S,6aS)-5-({2-[(2S,4S)-2-cyano-4-fluoropyrrolidin-1-yl]-2-oxoethyl}amino)-N,N,5-trimethyl-octahydrocyclopenta[c]pyrrole-2-carboxamide; 4-methylbenzene-1-sulfonic acid
IUPAC: (3aR,5S,6aS)-5-({2-[(2S,4S)-2-cyano-4-fluoropyrrolidin-1-yl]-2-oxoethyl}amino)-N,N,5-trimethyl-octahydrocyclopenta[c]pyrrole-2-carboxamide; 4-methylbenzene-1-sulfonic acid
SMILES: Cc1ccc(cc1)S(O)(=O)=O.[H][C@@]12CN(C[C@]1([H])C[C@](C)(C2)NCC(=O)N1C[C@@H](F)C[C@H]1C#N)C(=O)N(C)C
SMILES: Cc1ccc(cc1)S(O)(=O)=O.[H][C@@]12CN(C[C@]1([H])C[C@](C)(C2)NCC(=O)N1C[C@@H](F)C[C@H]1C#N)C(=O)N(C)C
InChI key: VBMNNLBIPDGFBS-XGXURLCGSA-N
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