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CHEBI:117065 - 2-[[[4-[(4-chloroanilino)-oxomethyl]-1H-imidazol-5-yl]-oxomethyl]amino]acetic acid tert-butyl ester

ChEBI IDCHEBI:117065
ChEBI Name2-[[[4-[(4-chloroanilino)-oxomethyl]-1H-imidazol-5-yl]-oxomethyl]amino]acetic acid tert-butyl ester
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Last Modified9 March 2018
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FormulaC17H19ClN4O4
Net Charge0
Average Mass378.816
Monoisotopic Mass378.10948
SMILESCC(C)(C)OC(=O)CNC(=O)c1ncnc1C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C17H19ClN4O4/c1-17(2,3)26-12(23)8-19-15(24)13-14(21-9-20-13)16(25)22-11-6-4-10(18)5-7-11/h4-7,9H,8H2,1-3H3,(H,19,24)(H,20,21)(H,22,25)
InChIKeyNUHNBOBCXDYEON-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
2-[[[4-[(4-chloroanilino)-oxomethyl]-1H-imidazol-5-yl]-oxomethyl]amino]acetic acid tert-butyl ester (CHEBI:117065) is a tert-butyl ester (CHEBI:140402)
2-[[[4-[(4-chloroanilino)-oxomethyl]-1H-imidazol-5-yl]-oxomethyl]amino]acetic acid tert-butyl ester (CHEBI:117065) is a aromatic amide (CHEBI:62733)
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