Chemical Component Summary

NameN-[1H-INDOL-3-YL-ACETYL]ASPARTIC ACID
Identifiers(2S)-2-[2-(1H-indol-3-yl)ethanoylamino]butanedioic acid
FormulaC14 H14 N2 O5
Molecular Weight290.271
TypeNON-POLYMER
Isomeric SMILESc1ccc2c(c1)c(c[nH]2)CC(=O)N[C@@H](CC(=O)O)C(=O)O
InChIInChI=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)/t11-/m0/s1
InChIKeyVAFNMNRKDDAKRM-NSHDSACASA-N

Chemical Details

Formal Charge0
Atom Count35
Chiral Atom Count1
Bond Count36
Aromatic Bond Count10

Drug Info: DrugBank

DrugBank IDDB07951 
NameN-(indole-3-acetyl)-L-aspartic acid
Groups experimental
Synonyms
  • IAASP
  • N-(indole-3-acetyl)-L-aspartic acid
  • N-(indol-3-ylacetyl)aspartic acid
  • N-(indol-3-ylacetyl)-L-aspartic acid
  • N-(indole-3-acetyl)aspartic acid
Categories
  • Heterocyclic Compounds, Fused-Ring
  • Indoles
CAS number2456-73-7

Drug Targets

NameTarget SequencePharmacological ActionActions
Tryptophan synthase alpha chainMERYENLFAQLNDRREGAFVPFVTLGDPGIEQSLKIIDTLIDAGADALEL...unknown
Tryptophan synthase beta chainMTTLLNPYFGEFGGMYVPQILMPALNQLEEAFVSAQKDPEFQAQFADLLK...unknown
Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682

Related Resource References

Resource NameReference
PubChem 446620
ChEBI CHEBI:21484
CCDC/CSD KIHZIK