CHEBI:157904 - His-Pro-Ile

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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 His-Pro-Ile
ChEBI ID CHEBI:157904
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C17H27N5O4
Net Charge 0
Average Mass 365.434
Monoisotopic Mass 365.20630
InChI InChI=1S/C17H27N5O4/c1-3-10(2)14(17(25)26)21-15(23)13-5-4-6-22(13)16(24)12(18)7-11-8-19-9-20-11/h8-10,12-14H,3-7,18H2,1-2H3,(H,19,20)(H,21,23)(H,25,26)/t10-,12-,13-,14-/m0/s1
InChIKey WCHONUZTYDQMBY-PYJNHQTQSA-N
SMILES O=C(N[C@@H]([C@H](CC)C)C(O)=O)[C@H]1N(CCC1)C(=O)[C@@H](N)CC=2NC=NC2
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 His-Pro-Ile (CHEBI:157904) is a peptide (CHEBI:16670)
IUPAC Name
(2S,3S)-2-[[(2S)-1-[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-methylpentanoic acid