(3S)-3-[(4-methylphenyl)sulfonylamino]-4-oxidanylidene-4-[(phenylmethyl)amino]butanoic acid

Systemtic Name: (3S)-3-[(4-methylphenyl)sulfonylamino]-4-oxidanylidene-4-[(phenylmethyl)amino]butanoic acid Openeye Name: (3S)-4-(benzylamino)-4-oxo-3-(p-tolylsulfonylamino)butanoic acid CAS Name: (3S)-3-[(4-methylphenyl)sulfonylamino]-4-oxo-4-[(phenylmethyl)amino]butanoic acid IUPAC Name: (3S)-4-(benzylamino)-3-[(4-methylphenyl)sulfonylamino]-4-oxobutanoic acid Traditional Name: (3S)-4-(benzylamino)-4-keto-3-(tosylamino)butyric acid Formula: C18H20N2O5S MolecularWeight: 376.4268

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(CC(=O)O)C(=O)NCC2=CC=CC=C2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N[C@@H](CC(=O)O)C(=O)NCC2=CC=CC=C2

InChI

InChI=1S/C18H20N2O5S/c1-13-7-9-15(10-8-13)26(24,25)20-16(11-17(21)22)18(23)19-12-14-5-3-2-4-6-14/h2-10,16,20H,11-12H2,1H3,(H,19,23)(H,21,22)/t16-/m0/s1