CHEBI:162713 - Pro-Trp-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 Pro-Trp-His
ChEBI ID CHEBI:162713
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C22H26N6O4
Net Charge 0
Average Mass 438.488
Monoisotopic Mass 438.20155
InChI InChI=1S/C22H26N6O4/c29-20(17-6-3-7-24-17)27-18(8-13-10-25-16-5-2-1-4-15(13)16)21(30)28-19(22(31)32)9-14-11-23-12-26-14/h1-2,4-5,10-12,17-19,24-25H,3,6-9H2,(H,23,26)(H,27,29)(H,28,30)(H,31,32)/t17-,18-,19-/m0/s1
InChIKey RJTUIDFUUHPJMP-FHWLQOOXSA-N
SMILES O=C(N[C@@H](CC=1C=2C(NC1)=CC=CC2)C(=O)N[C@@H](CC=3NC=NC3)C(O)=O)[C@H]4NCCC4
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 Pro-Trp-His (CHEBI:162713) is a peptide (CHEBI:16670)
IUPAC Name
(2S)-3-(1H-imidazol-5-yl)-2-[[(2S)-3-(1H-indol-3-yl)-2-[[(2S)-pyrrolidine-2-carbonyl]amino]propanoyl]amino]propanoic acid