methyl (2R)-2-[[2-(4-methylpiperidin-1-yl)-5-nitro-phenyl]carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: methyl (2R)-2-[[2-(4-methylpiperidin-1-yl)-5-nitro-phenyl]carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: methyl (2R)-2-[[2-(4-methyl-1-piperidyl)-5-nitro-benzoyl]amino]-4-methylsulfanyl-butanoate CAS Name: (2R)-2-[[[2-(4-methyl-1-piperidinyl)-5-nitrophenyl]-oxomethyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl (2R)-2-[[2-(4-methylpiperidin-1-yl)-5-nitrobenzoyl]amino]-4-methylsulfanylbutanoate Traditional Name: (2R)-2-[[2-(4-methylpiperidino)-5-nitro-benzoyl]amino]-4-(methylthio)butyric acid methyl ester Formula: C19H27N3O5S MolecularWeight: 409.49978

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NC(CCSC)C(=O)OC

Isomeric SMILES

CC1CCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)N[C@H](CCSC)C(=O)OC

InChI

InChI=1S/C19H27N3O5S/c1-13-6-9-21(10-7-13)17-5-4-14(22(25)26)12-15(17)18(23)20-16(8-11-28-3)19(24)27-2/h4-5,12-13,16H,6-11H2,1-3H3,(H,20,23)/t16-/m1/s1