Chem
J-GLOBAL ID：200907077236186060   Nikkaji number：J747.517I

(5R)-3-[[2-[(Iminomethyl)amino]ethyl]thio]-5α-[(1S,2R)-1-carboxy-2-hydroxypropyl]-4,5-dihydro-1H-pyrrole-2-carboxylic acid

(5R)-5-[(1S,2R)-1-カルボキシ-2-ヒドロキシプロピル]-3-[(2-メタンイミドアミドエチル)スルファニル]-4,5-ジヒドロ-1H-ピロール-2-カルボン酸
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： C12H19N3O5S
Molecular formula furigana： C12-H19-N3-O5-S
Molecular weight： 317.360
InChI： InChI=1S/C12H19N3O5S/c1-6(16)9(11(17)18)7-4-8(10(15-7)12(19)20)21-3-2-14-5-13/h5-7,9,15-16H,2-4H2,1H3,(H2,13,14)(H,17,18)(H,19,20)/t6-,7-,9-/m1/s1
InChI key： KSLAOLVLEKIZMQ-ZXFLCMHBSA-N
SMILES： C[C@@H](O)[C@H]([C@H]1CC(=C(N1)C(=O)O)SCCNC=N)C(=O)O
Systematic name  (3)：
  • (5R)-3-[[2-[(イミノメチル)アミノ]エチル]チオ]-5α-[(1S,2R)-1-カルボキシ-2-ヒドロキシプロピル]-4,5-ジヒドロ-1H-ピロール-2-カルボン酸
  • (5R)-5-[(1S,2R)-1-カルボキシ-2-ヒドロキシプロピル]-3-[(2-メタンイミドアミドエチル)スルファニル]-4,5-ジヒドロ-1H-ピロール-2-カルボン酸
  • (5R)-5-[(1S,2R)-1-carboxy-2-hydroxypropyl]-3-[(2-methanimidamidoethyl)sulfanyl]-4,5-dihydro-1H-pyrrole-2-carboxylic acid
Other name (1)：
  • (5R)-3-[[2-[(Iminomethyl)amino]ethyl]thio]-5α-[(1S,2R)-1-carboxy-2-hydroxypropyl]-4,5-dihydro-1H-pyrrole-2-carboxylic acid
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