BMRB

Biological Magnetic Resonance Data Bank


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

Phenylacetylglycine

Graphical representations:

phenylacetylglycine image

Molecular Formula: C10 H11 N O3

Natural Isotopic Abundance Mass: 193.19924

Mono-Isotopic Molecular Masses:

  • C12N14: 179.0708192194
  • C13N14: 189.1043675974
  • C12N15: 194.0709281178
  • C13N15: 204.1044764958

InCHi String: InChI=1S/C10H11NO3/c12-9(11-7-10(13)14)6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,11,12)(H,13,14)

Canonical and Isomeric SMILES: C1=CC=C(C=C1)CC(=O)NCC(=O)O

PUBCHEM iupac NAME: PUBCHEM iupac TRADITIONAL NAME: PUBCHEM iupac OPENEYE NAME
2-[(2-phenylacetyl)amino]acetic acid

PUBCHEM iupac CAS NAME
2-[(1-oxo-2-phenylethyl)amino]acetic acid

PUBCHEM iupac SYSTEMATIC NAME
2-(2-phenylethanoylamino)ethanoic acid

PubChem Substance (SID):   7922   478053   10374072
PubChem Compound (CID):   68144
KEGG: Compound ID   C05598
CAS Registry IDs:   500-98-1
PDB Chemical Component   n/a
Miscellaneous Databases and IDs:   DTP/NCI 408424   NIST 211889612   MMCD cq_03140   MDL MFCD00021744

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.