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

ChEBI IDCHEBI:177580
ChEBI NameL-Phenylalaninamide, L-tyrosyl-L-prolyl-L-tryptophyl-
Stars
Last Modified27 September 2021
SubmitterMetaboLights
DownloadsMolfile
FormulaC34H38N6O5
Net Charge0
Average Mass610.715
Monoisotopic Mass610.29037
SMILESNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc2ccccc12)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1
InChIInChI=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
InChIKeyZEXLJFNSKAHNFH-SYKYGTKKSA-N
Species of MetaboliteComponentSourceComments
Sus scrofa (ncbitaxon:9823) Sausage (ENVO:00002166) MetaboLights (MTBLS2871)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
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 XrefsDatabases
4470614ChemSpider
HMDB0005773HMDB
Registry NumbersSources
CAS:189388-22-5ChemIDplus