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CHEBI:161998 - Phe-Val-Ile

ChEBI IDCHEBI:161998
ChEBI NamePhe-Val-Ile
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H31N3O4
Net Charge0
Average Mass377.485
Monoisotopic Mass377.23146
SMILESCC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccccc1)C(C)C)C(=O)O
InChIInChI=1S/C20H31N3O4/c1-5-13(4)17(20(26)27)23-19(25)16(12(2)3)22-18(24)15(21)11-14-9-7-6-8-10-14/h6-10,12-13,15-17H,5,11,21H2,1-4H3,(H,22,24)(H,23,25)(H,26,27)/t13-,15-,16-,17-/m0/s1
InChIKeyBQMFWUKNOCJDNV-HJWJTTGWSA-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)
Phe-Val-Ile (CHEBI:161998) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S,3S)-2-[[(2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-3-methylbutanoyl]amino]-3-methylpentanoic acid