CHEBI:160783 - Asp-Met-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 Asp-Met-Tyr
ChEBI ID CHEBI:160783
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C18H25N3O7S
Net Charge 0
Average Mass 427.470
Monoisotopic Mass 427.14132
InChI InChI=1S/C18H25N3O7S/c1-29-7-6-13(20-16(25)12(19)9-15(23)24)17(26)21-14(18(27)28)8-10-2-4-11(22)5-3-10/h2-5,12-14,22H,6-9,19H2,1H3,(H,20,25)(H,21,26)(H,23,24)(H,27,28)/t12-,13-,14-/m0/s1
InChIKey WQSXAPPYLGNMQL-IHRRRGAJSA-N
SMILES S(CC[C@H](NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(O)=O)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 Asp-Met-Tyr (CHEBI:160783) is a peptide (CHEBI:16670)
IUPAC Name
(3S)-3-amino-4-[[(2S)-1-[[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]amino]-4-methylsulanyl-1-oxobutan-2-yl]amino]-4-oxobutanoic acid