CHEBI:158637 - Ala-Tyr-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-Tyr-Tyr
ChEBI ID CHEBI:158637
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C21H25N3O6
Net Charge 0
Average Mass 415.446
Monoisotopic Mass 415.17434
InChI InChI=1S/C21H25N3O6/c1-12(22)19(27)23-17(10-13-2-6-15(25)7-3-13)20(28)24-18(21(29)30)11-14-4-8-16(26)9-5-14/h2-9,12,17-18,25-26H,10-11,22H2,1H3,(H,23,27)(H,24,28)(H,29,30)/t12-,17-,18-/m0/s1
InChIKey MUGAESARFRGOTQ-IGNZVWTISA-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=C(O)C=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-Tyr-Tyr (CHEBI:158637) is a peptide (CHEBI:16670)
IUPAC Name
(2S)-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid