CHEBI:162715 - Pro-Trp-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 Pro-Trp-Ile
ChEBI ID CHEBI:162715
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C22H30N4O4
Net Charge 0
Average Mass 414.506
Monoisotopic Mass 414.22671
InChI InChI=1S/C22H30N4O4/c1-3-13(2)19(22(29)30)26-21(28)18(25-20(27)17-9-6-10-23-17)11-14-12-24-16-8-5-4-7-15(14)16/h4-5,7-8,12-13,17-19,23-24H,3,6,9-11H2,1-2H3,(H,25,27)(H,26,28)(H,29,30)/t13-,17-,18-,19-/m0/s1
InChIKey VVEQUISRWJDGMX-VKOGCVSHSA-N
SMILES O=C(N[C@@H](CC=1C=2C(NC1)=CC=CC2)C(=O)N[C@@H]([C@H](CC)C)C(O)=O)[C@H]3NCCC3
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-Ile (CHEBI:162715) is a tripeptide (CHEBI:47923)
IUPAC Name
(2S,3S)-2-[[(2S)-3-(1H-indol-3-yl)-2-[[(2S)-pyrrolidine-2-carbonyl]amino]propanoyl]amino]-3-methylpentanoic acid
Last Modified
20 March 2025