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CHEBI:160157 - Asn-Trp-Ala

ChEBI IDCHEBI:160157
ChEBI NameAsn-Trp-Ala
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H23N5O5
Net Charge0
Average Mass389.412
Monoisotopic Mass389.16992
SMILESC[C@H](NC(=O)[C@H](Cc1cnc2ccccc12)NC(=O)[C@@H](N)CC(N)=O)C(=O)O
InChIInChI=1S/C18H23N5O5/c1-9(18(27)28)22-17(26)14(23-16(25)12(19)7-15(20)24)6-10-8-21-13-5-3-2-4-11(10)13/h2-5,8-9,12,14,21H,6-7,19H2,1H3,(H2,20,24)(H,22,26)(H,23,25)(H,27,28)/t9-,12-,14-/m0/s1
InChIKeyIPPFAOCLQSGHJV-WFBYXXMGSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Asn-Trp-Ala (CHEBI:160157) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-2-[[(2S)-2-[[(2S)-2,4-diamino-4-oxobutanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]propanoic acid