Chem
J-GLOBAL ID：201607003016182626   Nikkaji number：J3.485.118B

Piragliatin

ピラグリアチン
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C19H20ClN3O4S
Molecular formula furigana： C19-H20-CL-N3-O4-S
Molecular weight： 421.900
InChI： InChI=1S/C19H20ClN3O4S/c1-28(26,27)17-5-3-13(10-16(17)20)15(9-12-2-4-14(24)8-12)19(25)23-18-11-21-6-7-22-18/h3,5-7,10-12,15H,2,4,8-9H2,1H3,(H,22,23,25)/t12-,15+/m0/s1
InChI key： XEANIURBPHCHMG-SWLSCSKDSA-N
SMILES： CS(=O)(=O)c1ccc(cc1Cl)[C@@H](C[C@H]1CCC(=O)C1)C(=O)Nc1cnccn1
Systematic name  (3)：
  • (2R)-N-(ピラジン-2-イル)-2-[3-クロロ-4-(メチルスルホニル)フェニル]-3-[(R)-3-オキソシクロペンチル]プロパンアミド
  • (2R)-2-(3-クロロ-4-メタンスルホニルフェニル)-3-[(1R)-3-オキソシクロペンチル]-N-(ピラジン-2-イル)プロパンアミド
  • (2R)-2-(3-chloro-4-methanesulfonylphenyl)-3-[(1R)-3-oxocyclopentyl]-N-(pyrazin-2-yl)propanamide
Other name (3)：
  • (2R)-N-(Pyrazine-2-yl)-2-[3-chloro-4-(methylsulfonyl)phenyl]-3-[(R)-3-oxocyclopentyl]propanamide
  • ピラグリアチン
  • Piragliatin
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