CHEBI:109309 - (2S)-4-methyl-2-[[[5-[[5-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]pentylamino]-oxomethyl]-1H-imidazol-4-yl]-oxomethyl]amino]pentanoic acid tert-butyl ester

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ChEBI Name (2S)-4-methyl-2-[[[5-[[5-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]pentylamino]-oxomethyl]-1H-imidazol-4-yl]-oxomethyl]amino]pentanoic acid tert-butyl ester
ChEBI ID CHEBI:109309
Stars This entity has been manually annotated by a third party.
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Formula C25H43N5O6
Net Charge 0
Average Mass 509.640
Monoisotopic Mass 509.32133
InChI InChI=1S/C25H43N5O6/c1-16(2)14-17(22(33)35-24(3,4)5)30-21(32)19-18(28-15-29-19)20(31)26-12-10-9-11-13-27-23(34)36-25(6,7)8/h15-17H,9-14H2,1-8H3,(H,26,31)(H,27,34)(H,28,29)(H,30,32)/t17-/m0/s1
InChIKey KMLVYALFXPFUSH-KRWDZBQOSA-N
SMILES CC(C)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)-4-methyl-2-[[[5-[[5-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]pentylamino]-oxomethyl]-1H-imidazol-4-yl]-oxomethyl]amino]pentanoic acid tert-butyl ester (CHEBI:109309) is a tert-butyl ester (CHEBI:140402)
(2S)-4-methyl-2-[[[5-[[5-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]pentylamino]-oxomethyl]-1H-imidazol-4-yl]-oxomethyl]amino]pentanoic acid tert-butyl ester (CHEBI:109309) is a leucine derivative (CHEBI:47003)
Manual Xref Database
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Last Modified
09 March 2018