[2-(cyclopropylamino)-2-oxidanylidene-ethyl] (2S)-2-[(2-chloranyl-4-nitro-phenyl)carbonylamino]-3-methyl-butanoate

Systemtic Name: [2-(cyclopropylamino)-2-oxidanylidene-ethyl] (2S)-2-[(2-chloranyl-4-nitro-phenyl)carbonylamino]-3-methyl-butanoate Openeye Name: [2-(cyclopropylamino)-2-oxo-ethyl] (2S)-2-[(2-chloro-4-nitro-benzoyl)amino]-3-methyl-butanoate CAS Name: (2S)-2-[[(2-chloro-4-nitrophenyl)-oxomethyl]amino]-3-methylbutanoic acid [2-(cyclopropylamino)-2-oxoethyl] ester IUPAC Name: [2-(cyclopropylamino)-2-oxoethyl] (2S)-2-[(2-chloro-4-nitrobenzoyl)amino]-3-methylbutanoate Traditional Name: (2S)-2-[(2-chloro-4-nitro-benzoyl)amino]-3-methyl-butyric acid [2-(cyclopropylamino)-2-keto-ethyl] ester Formula: C17H20ClN3O6 MolecularWeight: 397.8102

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC(=O)NC1CC1)NC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])Cl

Isomeric SMILES

CC(C)[C@@H](C(=O)OCC(=O)NC1CC1)NC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C17H20ClN3O6/c1-9(2)15(17(24)27-8-14(22)19-10-3-4-10)20-16(23)12-6-5-11(21(25)26)7-13(12)18/h5-7,9-10,15H,3-4,8H2,1-2H3,(H,19,22)(H,20,23)/t15-/m0/s1