Biological Magnetic Resonance Data Bank

A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
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L-Arginine L-Glutamate

Graphical representations:

L-Arginine L-Glutamate image

View large 3D structure

Molecular Formula: C11 H23 N5 O6

Natural Isotopic Abundance Mass: 321.3302200000

Mono-Isotopic Molecular Masses:

  • C12N14: 321.164833497
  • C13N14: 332.201736713
  • C12N15: 326.150007963
  • C13N15: 337.1869111787

InChI String: InChI=1S/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)/t4-;3-/m01/s1

isomeric and canonical SMILES: C(CC(C(=O)O)N)CN=C(N)N.C(CC(=O)O)C(C(=O)O)N

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

IUPAC traditional
2-aminoglutaric acid; 2-amino-5-guanidino-pentanoic acid

IUPAC cas: IUPAC openeye
2-amino-5-guanidino-pentanoic acid; 2-aminopentanedioic acid

PubChem Substance (SID):   85165013   163138
PubChem Compound (CID):   20317
KEGG: Compound ID   n/a
CAS Registry IDs:   3054-36-2   4320-30-3   91250-27-0   94601-78-2
PDB Chemical Component   n/a
Miscellaneous Databases and IDs:   EINECS 224-350-0   NSC 122009

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.

Atom numbering calculated using ALATIS. Citation: 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,