CHEBI:158869 - Ile-Tyr-Leu

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Ile-Tyr-Leu
ChEBI ID CHEBI:158869
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C21H33N3O5
Net Charge 0
Average Mass 407.511
Monoisotopic Mass 407.24202
InChI InChI=1S/C21H33N3O5/c1-5-13(4)18(22)20(27)23-16(11-14-6-8-15(25)9-7-14)19(26)24-17(21(28)29)10-12(2)3/h6-9,12-13,16-18,25H,5,10-11,22H2,1-4H3,(H,23,27)(H,24,26)(H,28,29)/t13-,16-,17-,18-/m0/s1
InChIKey GVEODXUBBFDBPW-MGHWNKPDSA-N
SMILES O=C(N[C@@H](CC1=CC=C(O)C=C1)C(=O)N[C@@H](CC(C)C)C(O)=O)[C@@H](N)[C@H](CC)C
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
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ChEBI Ontology
Outgoing Ile-Tyr-Leu (CHEBI:158869) is a peptide (CHEBI:16670)
IUPAC Name
(2S)-2-[[(2S)-2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylpentanoic acid
Manual Xref Database
17349654 ChemSpider
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