(3S)-3-[(4-methoxyphenyl)sulfonylamino]-4-oxidanylidene-4-(phenethylamino)butanoic acid

Systemtic Name: (3S)-3-[(4-methoxyphenyl)sulfonylamino]-4-oxidanylidene-4-(phenethylamino)butanoic acid Openeye Name: (3S)-3-[(4-methoxyphenyl)sulfonylamino]-4-oxo-4-(phenethylamino)butanoic acid CAS Name: (3S)-3-[(4-methoxyphenyl)sulfonylamino]-4-oxo-4-(phenethylamino)butanoic acid IUPAC Name: (3S)-3-[(4-methoxyphenyl)sulfonylamino]-4-oxo-4-(phenethylamino)butanoic acid Traditional Name: (3S)-4-keto-3-[(4-methoxyphenyl)sulfonylamino]-4-(phenethylamino)butyric acid Formula: C19H22N2O6S MolecularWeight: 406.45278

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)NC(CC(=O)O)C(=O)NCCC2=CC=CC=C2

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N[C@@H](CC(=O)O)C(=O)NCCC2=CC=CC=C2

InChI

InChI=1S/C19H22N2O6S/c1-27-15-7-9-16(10-8-15)28(25,26)21-17(13-18(22)23)19(24)20-12-11-14-5-3-2-4-6-14/h2-10,17,21H,11-13H2,1H3,(H,20,24)(H,22,23)/t17-/m0/s1