bmse000707 N-acetyl-histidine at BMRB

N-acetyl-histidine

N-Acetyl-L-histidine; Histidine, N-acetyl-, L-; Histidine, N-acetyl-, l-; .alpha.-N-Acetylhistidine; N-Acetyl-dl-histidine; L-Histidine, N-acetyl-; l-Histidine, N-acetyl-; .alpha.-N-Acetyl-L-histidine; N-Acetylhistidine; N2-Acetylhistidine

Molecular Formula: C8 H11 N3 O3
Natural Isotopic Abundance Mass: 197.19124
Mono-Isotopic Molecular Masses: C12N14: 197.080041235; C13N14: 205.1068799374; C12N15: 200.0711459146; C13N15: 208.097984617

N-acetyl-histidine

InCHi String:
InChI=1S/C8H11N3O3/c1-5(12)11-7(8(13)14)2-6-3-9-4-10-6/h3-4,7H,2H2,1H3,(H,9,10)(H,11,12)(H,13,14)

canonical and isomeric SMILES:
CC(=O)NC(CC1=CN=CN1)C(=O)O

PUBCHEM iupac NAME: PUBCHEM iupac OPENEYE NAME: PUBCHEM iupac CAS NAME: PUBCHEM iupac SYSTEMATIC NAME
2-acetamido-3-(1H-imidazol-5-yl)propanoic acid

PUBCHEM iupac TRADITIONAL NAME
2-acetamido-3-(1H-imidazol-5-yl)propionic acid

PubChem Substance (SID):   5542860   5383909   413540
PubChem Compound (CID):   273260
KEGG: Compound ID   n/a
CAS Registry IDs:   2497-02-1
PDB Chemical Component   n/a
Miscellaneous Databases and IDs:   ChemBank Oprea1_546052   ChemDB 4267919   DTP/NCI 118364   NIST 3582068990   MMCD cq_01809

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.