CHEBI:160814 - Asp-Phe-Phe

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
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-Phe-Phe
ChEBI ID CHEBI:160814
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C22H25N3O6
Net Charge 0
Average Mass 427.457
Monoisotopic Mass 427.17434
InChI InChI=1S/C22H25N3O6/c23-16(13-19(26)27)20(28)24-17(11-14-7-3-1-4-8-14)21(29)25-18(22(30)31)12-15-9-5-2-6-10-15/h1-10,16-18H,11-13,23H2,(H,24,28)(H,25,29)(H,26,27)(H,30,31)/t16-,17-,18-/m0/s1
InChIKey UCHSVZYJKJLPHF-BZSNNMDCSA-N
SMILES O=C(N[C@@H](CC1=CC=CC=C1)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC(O)=O)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 )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing Asp-Phe-Phe (CHEBI:160814) is a oligopeptide (CHEBI:25676)
IUPAC Name
(3S)-3-amino-4-[[(2S)-1-[[(1S)-1-carboxy-2-phenylethyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-4-oxobutanoic acid
Manual Xref Database
57489084 ChemSpider
View more database links