CHEBI:107042 - (2S)-2-[[[5-[[5-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]pentylamino]-oxomethyl]-1H-imidazol-4-yl]-oxomethyl]amino]propanoic acid tert-butyl ester

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name (2S)-2-[[[5-[[5-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]pentylamino]-oxomethyl]-1H-imidazol-4-yl]-oxomethyl]amino]propanoic acid tert-butyl ester
ChEBI ID CHEBI:107042
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C22H37N5O6
Net Charge 0
Average Mass 467.560
Monoisotopic Mass 467.27438
InChI InChI=1S/C22H37N5O6/c1-14(19(30)32-21(2,3)4)27-18(29)16-15(25-13-26-16)17(28)23-11-9-8-10-12-24-20(31)33-22(5,6)7/h13-14H,8-12H2,1-7H3,(H,23,28)(H,24,31)(H,25,26)(H,27,29)/t14-/m0/s1
InChIKey ZXJLEJXGLNEYOY-AWEZNQCLSA-N
SMILES C[C@@H](C(=O)OC(C)(C)C)NC(=O)C1=C(NC=N1)C(=O)NCCCCCNC(=O)OC(C)(C)C
ChEBI Ontology
Outgoing (2S)-2-[[[5-[[5-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]pentylamino]-oxomethyl]-1H-imidazol-4-yl]-oxomethyl]amino]propanoic acid tert-butyl ester (CHEBI:107042) is a tert-butyl ester (CHEBI:140402)
(2S)-2-[[[5-[[5-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]pentylamino]-oxomethyl]-1H-imidazol-4-yl]-oxomethyl]amino]propanoic acid tert-butyl ester (CHEBI:107042) is a secondary carboxamide (CHEBI:140325)
Manual Xref Database
LSM-18396 LINCS
View more database links
Last Modified
09 March 2018