BMRB

Biological Magnetic Resonance Data Bank


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

N-acetyl-D-Phenyl Alanine

N-acetyl-D-Phenyl Alanine synonyms

N-Acetyl-D-phenylalanine; N-Acetyl-3-phenyl-D-alanine

Wikipedia:

Graphical representations:

N-acetyl-D-Phenyl alanine image

Molecular Formula: C11 H13 N O3

Natural Isotopic Abundance Mass: 207.22582

Mono-Isotopic Molecular Masses:

  • C12N14: 207.0895432888
  • C13N14: 218.1264465046
  • C12N15: 208.086578182
  • C13N15: 219.1234813978

InCHi String:

canonical SMILES: CC(=O)NC(CC1=CC=CC=C1)C(=O)O

isomeric SMILES: CC(=O)N[C@H](CC1=CC=CC=C1)C(=O)O

PUBCHEM iupac NAME: PUBCHEM iupac CAS NAME
(2R)-2-acetamido-3-phenylpropanoic acid

PUBCHEM iupac TRADITIONAL NAME
(2R)-2-acetamido-3-phenyl-propionic acid

PUBCHEM iupac OPENEYE NAME: PUBCHEM iupac SYSTEMATIC NAME
(2R)-2-acetamido-3-phenyl-propanoic acid

PubChem Substance (SID):   85165264   678598   24890820
PubChem Compound (CID):   101184
KEGG: Compound ID   C05620
CAS Registry IDs:   10172-89-1
PDB Chemical Component   n/a
Miscellaneous Databases and IDs:   Sigma-Aldrich A3876_SIGMA   ChemIDplus 010172891   ChemSpider 91422   EINECS 233-447-7   MMCD cq_03153   MDL MFCD00002664

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.