CHEBI:161280 - Phe-Arg-Arg

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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-Arg-Arg
ChEBI ID CHEBI:161280
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C21H35N9O4
Net Charge 0
Average Mass 477.570
Monoisotopic Mass 477.28120
InChI InChI=1S/C21H35N9O4/c22-14(12-13-6-2-1-3-7-13)17(31)29-15(8-4-10-27-20(23)24)18(32)30-16(19(33)34)9-5-11-28-21(25)26/h1-3,6-7,14-16H,4-5,8-12,22H2,(H,29,31)(H,30,32)(H,33,34)(H4,23,24,27)(H4,25,26,28)/t14-,15-,16-/m0/s1
InChIKey LZDIENNKWVXJMX-JYJNAYRXSA-N
SMILES O=C(N[C@@H](CCCN=C(N)N)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC1=CC=CC=C1)CCCN=C(N)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 )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing Phe-Arg-Arg (CHEBI:161280) is a oligopeptide (CHEBI:25676)
IUPAC Name
(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoic acid
Manual Xref Database
20084751 ChemSpider
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Registry Number Type Source
150398-22-4 CAS Registry Number ChemIDplus