1-{(1R)-1-Carboxy-4-[(Diaminomethylene)Amino]Butyl}-5-Oxo-L-Proline

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Properties Simple | Detailed

Formula C11H18N4O5
IUPAC Name (2s)-1-[(1r)-1-carboxy-4-guanidino-butyl]-5-oxo-pyrrolidine-2-carboxylic acid
Molecular Mass 286.284 g·mol−1
Heat of Formation -916.0 ± 16.7 kJ·mol−1
Dipole Moment 4.00 ± 1.08 D
Volume 330.93 Å 3
Surface Area 283.86 Å 2
HOMO Energy -9.26 ± 0.55 eV
LUMO Energy 0.19 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-1-[(1r)-1-carboxy-4-guanidino-butyl]-5-keto-proline
  • (2s)-1-[(1r)-1-carboxy-4-guanidino-butyl]-5-oxo-pyrrolidine-2-carboxylic acid
  • (2s)-1-[(1r)-1-carboxy-4-guanidinobutyl]-5-oxo-2-pyrrolidinecarboxylic acid
  • (2s)-1-[(2r)-5-(diaminomethylideneamino)-1-hydroxy-1-oxo-pentan-2-yl]-5-oxo-pyrrolidine-2-carboxylic acid
  • (2s)-1-[(2r)-5-(diaminomethylideneamino)-1-hydroxy-1-oxopentan-2-yl]-5-oxopyrrolidine-2-carboxylic acid
  • 1-pyrrolidineacetic acid, alpha-(3-((aminoiminomethyl)amino)propyl)-2-carboxy-5-oxo-, (s-(r*,s*))-
  • n-(4-((aminoiminomethyl)amino)-1-carboxybutyl)-2-pyrrolidone-5-carboxylic acid
  • pyronopaline
CAS Number(s)
  • 86630-17-3
InChIKey GTRMYGUJZGMZEF-RQJHMYQMSA-N
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