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CHEBI:45681 - 1-(3-HYDROXYPROPYL)-2-[(3-NITROBENZOYL)AMINO]-1H-BENZIMIDAZOL-5-YL PIVALATE

Default Structure
ChEBI IDCHEBI:45681
ChEBI Name1-(3-HYDROXYPROPYL)-2-[(3-NITROBENZOYL)AMINO]-1H-BENZIMIDAZOL-5-YL PIVALATE
Stars
Last Modified16 May 2008
DownloadsMolfile
FormulaC22H24N4O6
Net Charge0
Average Mass440.456
Monoisotopic Mass440.16958
SMILES[H]OC([H])([H])C([H])([H])C([H])([H])n1c(N([H])C(=O)c2c([H])c([H])c([H])c([N+](=O)[O-])c2[H])nc2c([H])c(OC(=O)C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H])c([H])c([H])c21
InChIInChI=1S/C22H24N4O6/c1-22(2,3)20(29)32-16-8-9-18-17(13-16)23-21(25(18)10-5-11-27)24-19(28)14-6-4-7-15(12-14)26(30)31/h4,6-9,12-13,27H,5,10-11H2,1-3H3,(H,23,24,28)
InChIKeyCEAYRKIZESVQSN-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
1-(3-HYDROXYPROPYL)-2-[(3-NITROBENZOYL)AMINO]-1H-BENZIMIDAZOL-5-YL PIVALATE (CHEBI:45681) is a unclassifieds (CHEBI:27189)
Synonyms  Source
1-(3-HYDROXYPROPYL)-2-[(3-NITROBENZOYL)AMINO]-1H-BENZIMIDAZOL-5-YL PIVALATEPDBeChem
1-(3-hydroxypropyl)-2-{[(3-nitrophenyl)carbonyl]amino}-1H-benzimidazol-5-yl 2,2-dimethylpropanoatePDBeChem
Manual XrefsDatabases
T12PDBeChem