N-(3-indolylacetyl)-L-alanine

• N-(3-indolylacetyl)-L-alanine
• bmse000687 - data

InCHi String:
InChI=1S/C13H14N2O3/c1-8(13(17)18)15-12(16)6-9-7-14-11-5-3-2-4-10(9)11/h2-5,7-8,14H,6H2,1H3,(H,15,16)(H,17,18)/t8-/m0/s1

canonical SMILES:
CC(C(=O)O)NC(=O)CC1=CNC2=CC=CC=C21
isomeric SMILES:
C[C@@H](C(=O)O)NC(=O)CC1=CNC2=CC=CC=C21


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

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

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

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



PubChem Substance (SID):   111677825   841896   43765931
PubChem Compound (CID):   644225
KEGG: Compound ID   n/a
CAS Registry IDs:   57105-39-2
PDB Chemical Component   n/a
Miscellaneous Databases and IDs:   Sigma-Aldrich 345911_ALDRICH   ChemSpider 559246   BIND 2055   MMCD cq_10423   MDL MFCD00050395