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CHEBI:177676 - terlakiren

ChEBI IDCHEBI:177676
ChEBI Nameterlakiren
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC31H48N4O7S
Net Charge0
Average Mass620.813
Monoisotopic Mass620.32437
SMILESCSC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)N1CCOCC1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)C(=O)OC(C)C
InChIInChI=1S/C31H48N4O7S/c1-21(2)42-30(39)27(36)24(18-22-10-6-4-7-11-22)32-29(38)26(20-43-3)33-28(37)25(19-23-12-8-5-9-13-23)34-31(40)35-14-16-41-17-15-35/h5,8-9,12-13,21-22,24-27,36H,4,6-7,10-11,14-20H2,1-3H3,(H,32,38)(H,33,37)(H,34,40)/t24-,25-,26-,27+/m0/s1
InChIKeyUZQBKCWYZBHBOW-YIPNQBBMSA-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)
terlakiren (CHEBI:177676) is a peptide (CHEBI:16670)
IUPAC Name 
propan-2-yl (2R,3S)-4-cyclohexyl-2-hydroxy-3-[[(2R)-3-methylsulanyl-2-[[(2S)-2-(morpholine-4-carbonylamino)-3-phenylpropanoyl]amino]propanoyl]amino]butanoate
Manual XrefsDatabases
2ZSPDBeChem
D03743KEGG DRUG
58451ChemSpider
Registry NumbersSources
CAS:119625-78-4ChemIDplus