methyl 5-methyl-5-[3-[[2-methyl-4-(2-nitroimidazol-1-yl)-3-oxidanylidene-butan-2-yl]amino]propylamino]-4-oxidanylidene-hexanoate

Systemtic Name: methyl 5-methyl-5-[3-[[2-methyl-4-(2-nitroimidazol-1-yl)-3-oxidanylidene-butan-2-yl]amino]propylamino]-4-oxidanylidene-hexanoate Openeye Name: methyl 5-[3-[[1,1-dimethyl-3-(2-nitroimidazol-1-yl)-2-oxo-propyl]amino]propylamino]-5-methyl-4-oxo-hexanoate CAS Name: 5-methyl-5-[3-[[2-methyl-4-(2-nitro-1-imidazolyl)-3-oxobutan-2-yl]amino]propylamino]-4-oxohexanoic acid methyl ester IUPAC Name: methyl 5-methyl-5-[3-[[2-methyl-4-(2-nitroimidazol-1-yl)-3-oxobutan-2-yl]amino]propylamino]-4-oxohexanoate Traditional Name: 4-keto-5-[3-[[2-keto-1,1-dimethyl-3-(2-nitroimidazol-1-yl)propyl]amino]propylamino]-5-methyl-hexanoic acid methyl ester Formula: C19H31N5O6 MolecularWeight: 425.47934

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)CCC(=O)OC)NCCCNC(C)(C)C(=O)CN1C=CN=C1[N+](=O)[O-]

Isomeric SMILES

CC(C)(C(=O)CCC(=O)OC)NCCCNC(C)(C)C(=O)CN1C=CN=C1[N+](=O)[O-]

InChI

InChI=1S/C19H31N5O6/c1-18(2,14(25)7-8-16(27)30-5)21-9-6-10-22-19(3,4)15(26)13-23-12-11-20-17(23)24(28)29/h11-12,21-22H,6-10,13H2,1-5H3