Biological Magnetic Resonance Data Bank

A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
Member of WWPDB

L-Arginine L-Glutamate

Graphical representations:


View large 3D structure

Molecular Formula: C11H23N5O6

Natural Isotopic Abundance Mass: 321.3302200000

Mono-Isotopic Molecular Masses:

  • C12N14: 321.164833497
  • C13N14: 332.201736713
  • C12N15: 326.150007963
  • C13N15: 332.201736713

InChI string: InChI=1/C6H14N4O2.C5H9NO4/c7-4(5(11)12)2-1-3-10-6(8)9;6-3(5(9)10)1-2-4(7)8/h4H,1-3,7H2,(H,11,12)(H4,8,9,10);3H,1-2,6H2,(H,7,8)(H,9,10)/f/h11H,8-9H2;7,9H

IUPAC: 2-amino-5-(diaminomethylideneamino)pentanoic acid; 2-aminopentanedioic acid

PubChem Compound (CID): 20317
CAS Registry number: 3054-36-2 4320-30-3 91250-27-0 94601-78-2
EINECS: 224-350-0
NSC: 122009

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.

InChI string and atom numbering calculated using ALATIS (Hesam Dashti, William M. Westler, John L. Markley, Hamid R. Eghbalnia, "Unique identifiers for small molecules enable rigorous labeling of their atoms", Scientific Data 4, Article number: 170073 (2017), doi:10.1038/sdata.2017.73,