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CHEBI:161005 - Asp-Tyr-Ile

Default Structure
ChEBI IDCHEBI:161005
ChEBI NameAsp-Tyr-Ile
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H27N3O7
Net Charge0
Average Mass409.439
Monoisotopic Mass409.18490
SMILESCC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CC(=O)O)C(=O)O
InChIInChI=1S/C19H27N3O7/c1-3-10(2)16(19(28)29)22-18(27)14(8-11-4-6-12(23)7-5-11)21-17(26)13(20)9-15(24)25/h4-7,10,13-14,16,23H,3,8-9,20H2,1-2H3,(H,21,26)(H,22,27)(H,24,25)(H,28,29)/t10-,13-,14-,16-/m0/s1
InChIKeyOTKUAVXGMREHRX-CFMVVWHZSA-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)
Asp-Tyr-Ile (CHEBI:161005) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S,3S)-2-[[(2S)-2-[[(2S)-2-amino-3-carboxypropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylpentanoic acid