EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:121898 - (2S)-2-[[[4-[[[(2S)-1-[(2-methylpropan-2-yl)oxy]-1-oxo-3-phenylpropan-2-yl]amino]-oxomethyl]-1H-imidazol-5-yl]-oxomethyl]amino]-3-phenylpropanoic acid tert-butyl ester

ChEBI IDCHEBI:121898
ChEBI Name(2S)-2-[[[4-[[[(2S)-1-[(2-methylpropan-2-yl)oxy]-1-oxo-3-phenylpropan-2-yl]amino]-oxomethyl]-1H-imidazol-5-yl]-oxomethyl]amino]-3-phenylpropanoic acid tert-butyl ester
Stars
Last Modified9 March 2018
DownloadsMolfile
FormulaC31H38N4O6
Net Charge0
Average Mass562.667
Monoisotopic Mass562.27913
SMILESCC(C)(C)OC(=O)[C@H](Cc1ccccc1)NC(=O)c1ncnc1C(=O)N[C@@H](Cc1ccccc1)C(=O)OC(C)(C)C
InChIInChI=1S/C31H38N4O6/c1-30(2,3)40-28(38)22(17-20-13-9-7-10-14-20)34-26(36)24-25(33-19-32-24)27(37)35-23(29(39)41-31(4,5)6)18-21-15-11-8-12-16-21/h7-16,19,22-23H,17-18H2,1-6H3,(H,32,33)(H,34,36)(H,35,37)/t22-,23-/m0/s1
InChIKeyJJOJBADKVUQOSE-GOTSBHOMSA-N
ChEBI Ontology
Outgoing Relation(s)
(2S)-2-[[[4-[[[(2S)-1-[(2-methylpropan-2-yl)oxy]-1-oxo-3-phenylpropan-2-yl]amino]-oxomethyl]-1H-imidazol-5-yl]-oxomethyl]amino]-3-phenylpropanoic acid tert-butyl ester (CHEBI:121898) is a tert-butyl ester (CHEBI:140402)
(2S)-2-[[[4-[[[(2S)-1-[(2-methylpropan-2-yl)oxy]-1-oxo-3-phenylpropan-2-yl]amino]-oxomethyl]-1H-imidazol-5-yl]-oxomethyl]amino]-3-phenylpropanoic acid tert-butyl ester (CHEBI:121898) is a phenylalanine derivative (CHEBI:25985)
Manual XrefsDatabases
LSM-33341LINCS