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CHEBI:121017 - (2S)-2-[[(2-chlorophenyl)-oxomethyl]amino]-3-methylbutanoic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester

ChEBI IDCHEBI:121017
ChEBI Name(2S)-2-[[(2-chlorophenyl)-oxomethyl]amino]-3-methylbutanoic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester
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Last Modified12 March 2018
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FormulaC21H21ClN2O7
Net Charge0
Average Mass448.859
Monoisotopic Mass448.10373
SMILESCC(C)[C@H](NC(=O)c1ccccc1Cl)C(=O)OCc1cc([N+](=O)[O-])cc2c1OCOC2
InChIInChI=1S/C21H21ClN2O7/c1-12(2)18(23-20(25)16-5-3-4-6-17(16)22)21(26)30-10-14-8-15(24(27)28)7-13-9-29-11-31-19(13)14/h3-8,12,18H,9-11H2,1-2H3,(H,23,25)/t18-/m0/s1
InChIKeyNGUGKXKGCUGHKI-SFHVURJKSA-N
ChEBI Ontology
Outgoing Relation(s)
(2S)-2-[[(2-chlorophenyl)-oxomethyl]amino]-3-methylbutanoic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester (CHEBI:121017) is a secondary carboxamide (CHEBI:140325)
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