CHEBI:161568 - Phe-His-His

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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-His-His
ChEBI ID CHEBI:161568
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C21H25N7O4
Net Charge 0
Average Mass 439.476
Monoisotopic Mass 439.19680
InChI InChI=1S/C21H25N7O4/c22-16(6-13-4-2-1-3-5-13)19(29)27-17(7-14-9-23-11-25-14)20(30)28-18(21(31)32)8-15-10-24-12-26-15/h1-5,9-12,16-18H,6-8,22H2,(H,23,25)(H,24,26)(H,27,29)(H,28,30)(H,31,32)/t16-,17-,18-/m0/s1
InChIKey NAOVYENZCWFBDG-BZSNNMDCSA-N
SMILES O=C(N[C@@H](CC=1NC=NC1)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC2=CC=CC=C2)CC=3NC=NC3
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-His-His (CHEBI:161568) is a oligopeptide (CHEBI:25676)
IUPAC Name
(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-(1H-imidazol-5-yl)propanoic acid
Manual Xref Database
57478639 ChemSpider
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