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CHEBI:166110 - Val-Asn-Trp

ChEBI IDCHEBI:166110
ChEBI NameVal-Asn-Trp
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H27N5O5
Net Charge0
Average Mass417.466
Monoisotopic Mass417.20122
SMILESCC(C)[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1cnc2ccccc12)C(=O)O
InChIInChI=1S/C20H27N5O5/c1-10(2)17(22)19(28)24-14(8-16(21)26)18(27)25-15(20(29)30)7-11-9-23-13-6-4-3-5-12(11)13/h3-6,9-10,14-15,17,23H,7-8,22H2,1-2H3,(H2,21,26)(H,24,28)(H,25,27)(H,29,30)/t14-,15-,17-/m0/s1
InChIKeyNMPXRFYMZDIBRF-ZOBUZTSGSA-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)
Val-Asn-Trp (CHEBI:166110) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-2-[[(2S)-4-amino-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-4-oxobutanoyl]amino]-3-(1H-indol-3-yl)propanoic acid