bmse000246 L-Carnosine at BMRB

L-Carnosine

Karnozzn; N-2-M; beta-Alanyl-L-histidine; Ignotine; Carnosine; L-Histidine, beta-alanyl-; L-HISTIDINE, N-beta-ALANYL-; Nalpha-(beta-alanyl)-L-histidine; Karnozin; L-Carnosine

Molecular Formula: C9 H14 N4 O3
Natural Isotopic Abundance Mass: 226.2324600000
Mono-Isotopic Molecular Masses: C12N14: 226.106590337; C13N14: 235.136783877; C12N15: 230.094729909; C13N15: 239.1249234495

L-Carnosine

InCHi String:
InChI=1S/C9H14N4O3/c10-2-1-8(14)13-7(9(15)16)3-6-4-11-5-12-6/h4-5,7H,1-3,10H2,(H,11,12)(H,13,14)(H,15,16)/t7-/m0/s1

isomeric and canonical SMILES:
C1=C(NC=N1)CC(C(=O)O)NC(=O)CCN

IUPAC: IUPAC traditional: IUPAC openeye: IUPAC systematic
2-(3-aminopropanoylamino)-3-(3H-imidazol-4-yl)propanoic acid

IUPAC cas
2-[(3-amino-1-oxo-propyl)amino]-3-(3H-imidazol-4-yl)propanoic acid

PubChem Substance (SID):   85165054   152576   3676
PubChem Compound (CID):   9369   439224
KEGG: Compound ID   C00386
CAS Registry IDs:   305-84-0   7683-28-5
PDB Chemical Component   n/a
Miscellaneous Databases and IDs:   CHEBI 15727   Beilstein Handbook Reference 4-25-00-04381   NSC 524045   EINECS 206-169-9

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.