EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:47922 - methyl 1-{(2S)-2-cyclohexyl-2-[(N-methyl-L-alanyl)amino]acetyl}-L-prolyl-β-phenyl-L-phenylalaninate

ChEBI IDCHEBI:47922
ChEBI Namemethyl 1-{(2S)-2-cyclohexyl-2-[(N-methyl-L-alanyl)amino]acetyl}-L-prolyl-β-phenyl-L-phenylalaninate
Stars
ASCII Namemethyl 1-{(2S)-2-cyclohexyl-2-[(N-methyl-L-alanyl)amino]acetyl}-L-prolyl-beta-phenyl-L-phenylalaninate
DefinitionA tetrapeptide that is an IAP antagonist.
Last Modified28 February 2024
SubmitterKirill Degtyarenko
DownloadsMolfile

FormulaC33H44N4O5
Net Charge0
Average Mass576.738
Monoisotopic Mass576.33117
SMILESCN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)OC)C(c1ccccc1)c1ccccc1)C1CCCCC1
InChIInChI=1S/C33H44N4O5/c1-22(34-2)30(38)35-28(25-18-11-6-12-19-25)32(40)37-21-13-20-26(37)31(39)36-29(33(41)42-3)27(23-14-7-4-8-15-23)24-16-9-5-10-17-24/h4-5,7-10,14-17,22,25-29,34H,6,11-13,18-21H2,1-3H3,(H,35,38)(H,36,39)/t22-,26-,28-,29-/m0/s1
InChIKeyUUPZYAHONNHULX-CJBSCAABSA-N

Roles Classification

ChEBI Ontology
IUPAC Name 
methyl 1-{(2S)-2-cyclohexyl-2-[(N-methyl-L-alanyl)amino]acetyl}-L-prolyl-β-phenyl-L-phenylalaninate
Synonyms  Source
MV1ChEBI
MV-1ChEBI
MV 1ChEBI
Registry NumbersSources
CAS:1001600-54-9ChEBI
Citations