CHEBI:158440 - Ala-Phe-Tyr

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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 Ala-Phe-Tyr
ChEBI ID CHEBI:158440
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C21H25N3O5
Net Charge 0
Average Mass 399.447
Monoisotopic Mass 399.17942
InChI InChI=1S/C21H25N3O5/c1-13(22)19(26)23-17(11-14-5-3-2-4-6-14)20(27)24-18(21(28)29)12-15-7-9-16(25)10-8-15/h2-10,13,17-18,25H,11-12,22H2,1H3,(H,23,26)(H,24,27)(H,28,29)/t13-,17-,18-/m0/s1
InChIKey DXTYEWAQOXYRHZ-KKXDTOCCSA-N
SMILES O=C(N[C@@H](CC1=CC=C(O)C=C1)C(O)=O)[C@@H](NC(=O)[C@@H](N)C)CC2=CC=CC=C2
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 Ala-Phe-Tyr (CHEBI:158440) is a peptide (CHEBI:16670)
IUPAC Name
(2S)-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-phenylpropanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid