CHEBI:177580 - L-Phenylalaninamide, L-tyrosyl-L-prolyl-L-tryptophyl-

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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 L-Phenylalaninamide, L-tyrosyl-L-prolyl-L-tryptophyl-
ChEBI ID CHEBI:177580
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C34H38N6O5
Net Charge 0
Average Mass 610.715
Monoisotopic Mass 610.29037
InChI InChI=1S/C34H38N6O5/c35-26(17-22-12-14-24(41)15-13-22)34(45)40-16-6-11-30(40)33(44)39-29(19-23-20-37-27-10-5-4-9-25(23)27)32(43)38-28(31(36)42)18-21-7-2-1-3-8-21/h1-5,7-10,12-15,20,26,28-30,37,41H,6,11,16-19,35H2,(H2,36,42)(H,38,43)(H,39,44)/t26-,28-,29-,30-/m0/s1
InChIKey ZEXLJFNSKAHNFH-SYKYGTKKSA-N
SMILES O=C(N[C@@H](CC=1C=2C(NC1)=CC=CC2)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)N)[C@H]4N(CCC4)C(=O)[C@@H](N)CC5=CC=C(O)C=C5
Metabolite of Species Details
Sus scrofa (NCBI:txid9823) Found in Sausage (ENVO:00002166). See: MetaboLights Study
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 L-Phenylalaninamide, L-tyrosyl-L-prolyl-L-tryptophyl- (CHEBI:177580) is a oligopeptide (CHEBI:25676)
IUPAC Name
(2S)-1-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]-N-[(2S)-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]pyrrolidine-2-carboxamide
Manual Xrefs Databases
4470614 ChemSpider
HMDB0005773 HMDB
View more database links
Registry Number Type Source
189388-22-5 CAS Registry Number ChemIDplus
Last Modified
27 September 2021