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CHEBI:162555 - Pro-Phe-Ile

ChEBI IDCHEBI:162555
ChEBI NamePro-Phe-Ile
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H29N3O4
Net Charge0
Average Mass375.469
Monoisotopic Mass375.21581
SMILESCC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1)C(=O)O
InChIInChI=1S/C20H29N3O4/c1-3-13(2)17(20(26)27)23-19(25)16(12-14-8-5-4-6-9-14)22-18(24)15-10-7-11-21-15/h4-6,8-9,13,15-17,21H,3,7,10-12H2,1-2H3,(H,22,24)(H,23,25)(H,26,27)/t13-,15-,16-,17-/m0/s1
InChIKeyMHBSUKYVBZVQRW-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)
Pro-Phe-Ile (CHEBI:162555) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S,3S)-3-methyl-2-[[(2S)-3-phenyl-2-[[(2S)-pyrrolidine-2-carbonyl]amino]propanoyl]amino]pentanoic acid