bmse000195 N(alpha)-Acetyl-DL-ornithine at BMRB

N(alpha)-Acetyl-DL-ornithine
bmse000195 - data
bmst000203 - theory

N(alpha)-Acetyl-DL-ornithine

N-Acetylornithine; N2-Acetyl-L-ornithine

Molecular Formula: C7 H14 N2 O3
Natural Isotopic Abundance Mass: 174.1976600000
Mono-Isotopic Molecular Masses: C12N14: 174.100442326; C13N14: 181.123926191; C12N15: 176.094512113; C13N15: 183.1179959771

N(alpha)-Acetyl-DL-ornithine

InCHi String:
InChI=1S/C7H14N2O3/c1-5(10)9-6(7(11)12)3-2-4-8/h6H,2-4,8H2,1H3,(H,9,10)(H,11,12)/t6-/m0/s1

isomeric SMILES:
CC(=O)N[C@@H](CCCN)C(=O)O
canonical SMILES:
CC(=O)NC(CCCN)C(=O)O

IUPAC: IUPAC traditional: IUPAC cas: IUPAC openeye: IUPAC systematic
(2S)-2-acetamido-5-amino-pentanoic acid

PubChem Substance (SID):   85165014   3726
PubChem Compound (CID):   439232
KEGG: Compound ID   C00437
CAS Registry IDs:   6205-08-9
PDB Chemical Component   AOR
Miscellaneous Databases and IDs:   CHEBI 16543

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.