(2S)-2-[[[5-[[methyl-(phenylmethyl)amino]-oxomethyl]-1H-imidazol-4-yl]-oxomethyl]amino]-6-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]hexanoic acid tert-butyl ester (CHEBI:116491)

EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:116491 - (2S)-2-[[[5-[[methyl-(phenylmethyl)amino]-oxomethyl]-1H-imidazol-4-yl]-oxomethyl]amino]-6-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]hexanoic acid tert-butyl ester

Take structure to advanced search

ChEBI ID	CHEBI:116491
ChEBI Name	(2S)-2-[[[5-[[methyl-(phenylmethyl)amino]-oxomethyl]-1H-imidazol-4-yl]-oxomethyl]amino]-6-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]hexanoic acid tert-butyl ester
Stars
Last Modified	9 March 2018
Downloads	Molfile

Formula	C28H41N5O6
Net Charge	0
Average Mass	543.665
Monoisotopic Mass	543.30568
SMILES	CN(Cc1ccccc1)C(=O)c1ncnc1C(=O)N[C@@H](CCCCNC(=O)OC(C)(C)C)C(=O)OC(C)(C)C
InChI	InChI=1S/C28H41N5O6/c1-27(2,3)38-25(36)20(15-11-12-16-29-26(37)39-28(4,5)6)32-23(34)21-22(31-18-30-21)24(35)33(7)17-19-13-9-8-10-14-19/h8-10,13-14,18,20H,11-12,15-17H2,1-7H3,(H,29,37)(H,30,31)(H,32,34)/t20-/m0/s1
InChIKey	DINYHADKRMDGFI-FQEVSTJZSA-N

ChEBI Ontology

Outgoing Relation(s)
	(2S)-2-[[[5-[[methyl-(phenylmethyl)amino]-oxomethyl]-1H-imidazol-4-yl]-oxomethyl]amino]-6-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]hexanoic acid tert-butyl ester (CHEBI:116491) is a tert-butyl ester (CHEBI:140402)
	(2S)-2-[[[5-[[methyl-(phenylmethyl)amino]-oxomethyl]-1H-imidazol-4-yl]-oxomethyl]amino]-6-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]hexanoic acid tert-butyl ester (CHEBI:116491) is a secondary carboxamide (CHEBI:140325)
	(2S)-2-[[[5-[[methyl-(phenylmethyl)amino]-oxomethyl]-1H-imidazol-4-yl]-oxomethyl]amino]-6-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]hexanoic acid tert-butyl ester (CHEBI:116491) is a tertiary carboxamide (CHEBI:140326)

Manual Xrefs	Databases
LSM-27946	LINCS