Chem
J-GLOBAL ID：200907085003550902   Nikkaji number：J1.158.691K

3-Guanidino-4-[2-oxo-5,5-bis(hydroxymethyl)pyrrolizino]benzoic acid

3-グアニジノ-4-[2-オキソ-5,5-ビス(ヒドロキシメチル)ピロリジノ]安息香酸
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： C14H18N4O5
Molecular formula furigana： C14-H18-N4-O5
Molecular weight： 322.321
InChI： InChI=1S/C14H18N4O5/c15-13(16)17-9-5-8(12(22)23)1-2-10(9)18-11(21)3-4-14(18,6-19)7-20/h1-2,5,19-20H,3-4,6-7H2,(H,22,23)(H4,15,16,17)
InChI key： IRNYFKBSAARAHR-UHFFFAOYSA-N
SMILES： NC(=N)Nc1cc(ccc1N1C(=O)CCC1(CO)CO)C(=O)O
Systematic name  (4)：
  • 3-グアニジノ-4-[2-オキソ-5,5-ビス(ヒドロキシメチル)ピロリジノ]安息香酸
  • 3-グアニジノ-4-[2,2-ビス(ヒドロキシメチル)-5-オキソピロリジノ]安息香酸
  • 4-[2,2-ビス(ヒドロキシメチル)-5-オキソピロリジン-1-イル]-3-カルバムイミドアミド安息香酸
  • 4-[2,2-bis(hydroxymethyl)-5-oxopyrrolidin-1-yl]-3-carbamimidamidobenzoic acid
Other name (2)：
  • 3-Guanidino-4-[2-oxo-5,5-bis(hydroxymethyl)pyrrolizino]benzoic acid
  • 3-Guanidino-4-[2,2-bis(hydroxymethyl)-5-oxopyrrolizino]benzoic acid
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