CHEBI:121628 - 4-[[[5-[[[(2S)-1-[(2-methylpropan-2-yl)oxy]-6-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxohexan-2-yl]amino]-oxomethyl]-1H-imidazol-4-yl]-oxomethyl]amino]benzoic acid ethyl ester

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 4-[[[5-[[[(2S)-1-[(2-methylpropan-2-yl)oxy]-6-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxohexan-2-yl]amino]-oxomethyl]-1H-imidazol-4-yl]-oxomethyl]amino]benzoic acid ethyl ester
ChEBI ID CHEBI:121628
Stars This entity has been manually annotated by a third party.
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Formula C29H41N5O8
Net Charge 0
Average Mass 587.666
Monoisotopic Mass 587.29551
InChI InChI=1S/C29H41N5O8/c1-8-40-25(37)18-12-14-19(15-13-18)33-23(35)21-22(32-17-31-21)24(36)34-20(26(38)41-28(2,3)4)11-9-10-16-30-27(39)42-29(5,6)7/h12-15,17,20H,8-11,16H2,1-7H3,(H,30,39)(H,31,32)(H,33,35)(H,34,36)/t20-/m0/s1
InChIKey XIQFIGDBAIPLCI-FQEVSTJZSA-N
SMILES CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=C(NC=N2)C(=O)N[C@@H](CCCCNC(=O)OC(C)(C)C)C(=O)OC(C)(C)C
ChEBI Ontology
Outgoing 4-[[[5-[[[(2S)-1-[(2-methylpropan-2-yl)oxy]-6-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxohexan-2-yl]amino]-oxomethyl]-1H-imidazol-4-yl]-oxomethyl]amino]benzoic acid ethyl ester (CHEBI:121628) is a tert-butyl ester (CHEBI:140402)
4-[[[5-[[[(2S)-1-[(2-methylpropan-2-yl)oxy]-6-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxohexan-2-yl]amino]-oxomethyl]-1H-imidazol-4-yl]-oxomethyl]amino]benzoic acid ethyl ester (CHEBI:121628) is a aromatic amide (CHEBI:62733)
Manual Xref Database
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Last Modified
09 March 2018