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CHEBI:162394 - Pro-Ile-Ile

ChEBI IDCHEBI:162394
ChEBI NamePro-Ile-Ile
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC17H31N3O4
Net Charge0
Average Mass341.452
Monoisotopic Mass341.23146
SMILESCC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1)[C@@H](C)CC)C(=O)O
InChIInChI=1S/C17H31N3O4/c1-5-10(3)13(19-15(21)12-8-7-9-18-12)16(22)20-14(17(23)24)11(4)6-2/h10-14,18H,5-9H2,1-4H3,(H,19,21)(H,20,22)(H,23,24)/t10-,11-,12-,13-,14-/m0/s1
InChIKeyLNOWDSPAYBWJOR-PEDHHIEDSA-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)
Pro-Ile-Ile (CHEBI:162394) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S,3S)-3-methyl-2-[[(2S,3S)-3-methyl-2-[[(2S)-pyrrolidine-2-carbonyl]amino]pentanoyl]amino]pentanoic acid