Chem
J-GLOBAL ID：200907011105120364   Nikkaji number：J431.986I

R-976-2

R-976-2
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： C15H23N3O5S
Molecular formula furigana： C15-H23-N3-O5-S
Molecular weight： 357.430
InChI： InChI=1S/C15H23N3O5S/c1-7(19)12(14(20)21)10-5-11(13(17-10)15(22)23)24-9-3-4-18(6-9)8(2)16/h7,9-12,16,19H,3-6H2,1-2H3,(H,20,21)(H,22,23)/t7-,9+,10-,11?,12-/m1/s1
InChI key： ZWNVBHGNWGLVDB-KSGKTJENSA-N
SMILES： C[C@@H](O)[C@H]([C@H]1CC(S[C@H]2CCN(C2)C(=N)C)C(=N1)C(=O)O)C(=O)O
Systematic name  (3)：
  • (5R)-4,5-ジヒドロ-5α-[(1S,2R)-1-カルボキシ-2-ヒドロキシプロピル]-3-[[(3S)-1-(1-イミノエチル)-3β-ピロリジニル]チオ]-3H-ピロール-2-カルボン酸
  • (2R)-2-[(1S,2R)-1-カルボキシ-2-ヒドロキシプロピル]-4-{[(3S)-1-エタンイミドイルピロリジン-3-イル]スルファニル}-3,4-ジヒドロ-2H-ピロール-5-カルボン酸
  • (2R)-2-[(1S,2R)-1-carboxy-2-hydroxypropyl]-4-{[(3S)-1-ethanimidoylpyrrolidin-3-yl]sulfanyl}-3,4-dihydro-2H-pyrrole-5-carboxylic acid
Other name (2)：
  • R-976-2
  • (5R)-4,5-Dihydro-5α-[(1S,2R)-1-carboxy-2-hydroxypropyl]-3-[[(3S)-1-(1-iminoethyl)-3β-pyrrolidinyl]thio]-3H-pyrrole-2-carboxylic acid
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