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-(3-Indolylacetyl)-DL-aspartic Acid

N-(3-Indolylacetyl)-DL-aspartic Acid synonyms

N-(3-Indolylacetyl)-DL-aspartic acid; Aspartic acid, N-(3-indolylacetyl)-

Wikipedia:

Graphical representations:

N-(3-Indolylacetyl)-DL-aspartic acid image

Molecular Formula: C14 H14 N2 O5

Natural Isotopic Abundance Mass: 290.27136

Mono-Isotopic Molecular Masses:

  • C12N14: 290.0902715703
  • C13N14: 304.1372392995
  • C12N15: 292.0843413567
  • C13N15: 306.1313090859

InCHi String: InChI=1S/C14H14N2O5/c17-12(16-11(14(20)21)6-13(18)19)5-8-7-15-10-4-2-1-3-9(8)10/h1-4,7,11,15H,5-6H2,(H,16,17)(H,18,19)(H,20,21)

canonical and isomeric SMILES: C1=CC=C2C(=C1)C(=CN2)CC(=O)NC(CC(=O)O)C(=O)O

PUBCHEM iupac NAME: PUBCHEM iupac OPENEYE NAME
2-[[2-(1H-indol-3-yl)acetyl]amino]butanedioic acid

PUBCHEM iupac TRADITIONAL NAME
2-[[2-(1H-indol-3-yl)acetyl]amino]succinic acid

PUBCHEM iupac CAS NAME
2-[[2-(1H-indol-3-yl)-1-oxoethyl]amino]butanedioic acid

PUBCHEM iupac SYSTEMATIC NAME
2-[2-(1H-indol-3-yl)ethanoylamino]butanedioic acid

PubChem Substance (SID):   126596878   24861361   47997764
PubChem Compound (CID):   4656408
KEGG: Compound ID   n/a
CAS Registry IDs:   n/a
PDB Chemical Component   n/a
Miscellaneous Databases and IDs:   CAS 32449-99-3   MMCD cq_10439   MDL number MFCD00050396   Sigma-Aldrich 345938_ALDRICH   ChemBank Oprea1_750352

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.