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CHEBI:141448 - Trp-Ile

ChEBI IDCHEBI:141448
ChEBI NameTrp-Ile
Stars
DefinitionA dipeptide obtained by formal condensation of the carboxy group of L-tryptophan with the amino group of L-isoleucine.
Last Modified11 October 2018
Submittermwilliams
DownloadsMolfile
FormulaC17H23N3O3
Net Charge0
Average Mass317.389
Monoisotopic Mass317.17394
SMILESCC[C@H](C)[C@H](NC(=O)[C@@H](N)Cc1cnc2ccccc12)C(=O)O
InChIInChI=1S/C17H23N3O3/c1-3-10(2)15(17(22)23)20-16(21)13(18)8-11-9-19-14-7-5-4-6-12(11)14/h4-7,9-10,13,15,19H,3,8,18H2,1-2H3,(H,20,21)(H,22,23)/t10-,13-,15-/m0/s1
InChIKeyPITVQFJBUFDJDD-XEGUGMAKSA-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)
Trp-Ile (CHEBI:141448) has functional parent L-isoleucine (CHEBI:17191)
Trp-Ile (CHEBI:141448) has functional parent L-tryptophan (CHEBI:16828)
Trp-Ile (CHEBI:141448) is a dipeptide (CHEBI:46761)
IUPAC Name 
L-tryptophyl-L-isoleucine
Synonyms  Source
tryptophylisoleucineSUBMITTER
W-ISUBMITTER
WISUBMITTER
(2S,3S)-2-{[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]amino}-3-methylpentanoic acidIUPAC
WI dipeptideHMDB
W-I dipeptideHMDB
Manual XrefsDatabases
HMDB0029086HMDB
Registry NumbersSources
Reaxys:15760009Reaxys
CAS:64339-42-0ChemIDplus
Citations