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CHEBI:161610 - Phe-Ile-Ile

ChEBI IDCHEBI:161610
ChEBI NamePhe-Ile-Ile
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H33N3O4
Net Charge0
Average Mass391.512
Monoisotopic Mass391.24711
SMILESCC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)CC)C(=O)O
InChIInChI=1S/C21H33N3O4/c1-5-13(3)17(20(26)24-18(21(27)28)14(4)6-2)23-19(25)16(22)12-15-10-8-7-9-11-15/h7-11,13-14,16-18H,5-6,12,22H2,1-4H3,(H,23,25)(H,24,26)(H,27,28)/t13-,14-,16-,17-,18-/m0/s1
InChIKeyGXDPQJUBLBZKDY-IAVJCBSLSA-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-Ile-Ile (CHEBI:161610) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S,3S)-2-[[(2S,3S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-3-methylpentanoyl]amino]-3-methylpentanoic acid