CHEBI:161342 - Phe-Asn-Phe

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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-Asn-Phe
ChEBI ID CHEBI:161342
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C22H26N4O5
Net Charge 0
Average Mass 426.473
Monoisotopic Mass 426.19032
InChI InChI=1S/C22H26N4O5/c23-16(11-14-7-3-1-4-8-14)20(28)25-17(13-19(24)27)21(29)26-18(22(30)31)12-15-9-5-2-6-10-15/h1-10,16-18H,11-13,23H2,(H2,24,27)(H,25,28)(H,26,29)(H,30,31)/t16-,17-,18-/m0/s1
InChIKey AWAYOWOUGVZXOB-BZSNNMDCSA-N
SMILES O=C(N[C@@H](CC1=CC=CC=C1)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC2=CC=CC=C2)CC(=O)N
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-Asn-Phe (CHEBI:161342) is a oligopeptide (CHEBI:25676)
IUPAC Name
(2S)-2-[[(2S)-4-amino-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-4-oxobutanoyl]amino]-3-phenylpropanoic acid
Manual Xref Database
8288773 ChemSpider
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