CHEBI:161922 - Phe-Trp-Ile

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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 Phe-Trp-Ile
ChEBI ID CHEBI:161922
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C26H32N4O4
Net Charge 0
Average Mass 464.566
Monoisotopic Mass 464.24236
InChI InChI=1S/C26H32N4O4/c1-3-16(2)23(26(33)34)30-25(32)22(14-18-15-28-21-12-8-7-11-19(18)21)29-24(31)20(27)13-17-9-5-4-6-10-17/h4-12,15-16,20,22-23,28H,3,13-14,27H2,1-2H3,(H,29,31)(H,30,32)(H,33,34)/t16-,20-,22-,23-/m0/s1
InChIKey YCEWAVIRWNGGSS-NQCBNZPSSA-N
SMILES O=C(N[C@@H]([C@H](CC)C)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC1=CC=CC=C1)CC=2C=3C(NC2)=CC=CC3
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing Phe-Trp-Ile (CHEBI:161922) is a oligopeptide (CHEBI:25676)
IUPAC Name
(2S,3S)-2-[[(2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-methylpentanoic acid