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CHEBI:160271 - Asn-Val-Trp

ChEBI IDCHEBI:160271
ChEBI NameAsn-Val-Trp
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H27N5O5
Net Charge0
Average Mass417.466
Monoisotopic Mass417.20122
SMILESCC(C)[C@H](NC(=O)[C@@H](N)CC(N)=O)C(=O)N[C@@H](Cc1cnc2ccccc12)C(=O)O
InChIInChI=1S/C20H27N5O5/c1-10(2)17(25-18(27)13(21)8-16(22)26)19(28)24-15(20(29)30)7-11-9-23-14-6-4-3-5-12(11)14/h3-6,9-10,13,15,17,23H,7-8,21H2,1-2H3,(H2,22,26)(H,24,28)(H,25,27)(H,29,30)/t13-,15-,17-/m0/s1
InChIKeyQXNGSPZMGFEZNO-QRTARXTBSA-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-Val-Trp (CHEBI:160271) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-2-[[(2S)-2-[[(2S)-2,4-diamino-4-oxobutanoyl]amino]-3-methylbutanoyl]amino]-3-(1H-indol-3-yl)propanoic acid