CHEBI:161272 - Phe-Ala-Trp

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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-Ala-Trp
ChEBI ID CHEBI:161272
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C23H26N4O4
Net Charge 0
Average Mass 422.485
Monoisotopic Mass 422.19541
InChI InChI=1S/C23H26N4O4/c1-14(26-22(29)18(24)11-15-7-3-2-4-8-15)21(28)27-20(23(30)31)12-16-13-25-19-10-6-5-9-17(16)19/h2-10,13-14,18,20,25H,11-12,24H2,1H3,(H,26,29)(H,27,28)(H,30,31)/t14-,18-,20-/m0/s1
InChIKey NEHSHYOUIWBYSA-DCPHZVHLSA-N
SMILES O=C(N[C@@H](CC=1C=2C(NC1)=CC=CC2)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC3=CC=CC=C3)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 Phe-Ala-Trp (CHEBI:161272) is a peptide (CHEBI:16670)
IUPAC Name
(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]propanoyl]amino]-3-(1H-indol-3-yl)propanoic acid