[2-oxidanylidene-2-(propan-2-ylamino)ethyl] (2S)-2-[(3,4-dimethylphenyl)sulfonylamino]-3-methyl-butanoate

Systemtic Name: [2-oxidanylidene-2-(propan-2-ylamino)ethyl] (2S)-2-[(3,4-dimethylphenyl)sulfonylamino]-3-methyl-butanoate Openeye Name: [2-(isopropylamino)-2-oxo-ethyl] (2S)-2-[(3,4-dimethylphenyl)sulfonylamino]-3-methyl-butanoate CAS Name: (2S)-2-[(3,4-dimethylphenyl)sulfonylamino]-3-methylbutanoic acid [2-oxo-2-(propan-2-ylamino)ethyl] ester IUPAC Name: [2-oxo-2-(propan-2-ylamino)ethyl] (2S)-2-[(3,4-dimethylphenyl)sulfonylamino]-3-methylbutanoate Traditional Name: (2S)-2-[(3,4-dimethylphenyl)sulfonylamino]-3-methyl-butyric acid [2-(isopropylamino)-2-keto-ethyl] ester Formula: C18H28N2O5S MolecularWeight: 384.49032

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)NC(C(C)C)C(=O)OCC(=O)NC(C)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N[C@@H](C(C)C)C(=O)OCC(=O)NC(C)C)C

InChI

InChI=1S/C18H28N2O5S/c1-11(2)17(18(22)25-10-16(21)19-12(3)4)20-26(23,24)15-8-7-13(5)14(6)9-15/h7-9,11-12,17,20H,10H2,1-6H3,(H,19,21)/t17-/m0/s1