(2S)-4-(2,2-dimethylpropylamino)-2-[(4-methylphenyl)sulfonylamino]-4-oxidanylidene-butanoic acid

Systemtic Name: (2S)-4-(2,2-dimethylpropylamino)-2-[(4-methylphenyl)sulfonylamino]-4-oxidanylidene-butanoic acid Openeye Name: (2S)-4-(2,2-dimethylpropylamino)-4-oxo-2-(p-tolylsulfonylamino)butanoic acid CAS Name: (2S)-4-(2,2-dimethylpropylamino)-2-[(4-methylphenyl)sulfonylamino]-4-oxobutanoic acid IUPAC Name: (2S)-4-(2,2-dimethylpropylamino)-2-[(4-methylphenyl)sulfonylamino]-4-oxobutanoic acid Traditional Name: (2S)-4-keto-4-(neopentylamino)-2-(tosylamino)butyric acid Formula: C16H24N2O5S MolecularWeight: 356.43716

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(CC(=O)NCC(C)(C)C)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N[C@@H](CC(=O)NCC(C)(C)C)C(=O)O

InChI

InChI=1S/C16H24N2O5S/c1-11-5-7-12(8-6-11)24(22,23)18-13(15(20)21)9-14(19)17-10-16(2,3)4/h5-8,13,18H,9-10H2,1-4H3,(H,17,19)(H,20,21)/t13-/m0/s1