2-[(4-methoxyphenyl)sulfonylamino]-4-oxidanylidene-4-(phenethylamino)-2-propan-2-yl-butanoic acid

Systemtic Name: 2-[(4-methoxyphenyl)sulfonylamino]-4-oxidanylidene-4-(phenethylamino)-2-propan-2-yl-butanoic acid Openeye Name: 2-isopropyl-2-[(4-methoxyphenyl)sulfonylamino]-4-oxo-4-(phenethylamino)butanoic acid CAS Name: 2-[(4-methoxyphenyl)sulfonylamino]-4-oxo-4-(phenethylamino)-2-propan-2-ylbutanoic acid IUPAC Name: 2-[(4-methoxyphenyl)sulfonylamino]-4-oxo-4-(phenethylamino)-2-propan-2-ylbutanoic acid Traditional Name: 2-isopropyl-4-keto-2-[(4-methoxyphenyl)sulfonylamino]-4-(phenethylamino)butyric acid Formula: C22H28N2O6S MolecularWeight: 448.53252

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CC(=O)NCCC1=CC=CC=C1)(C(=O)O)NS(=O)(=O)C2=CC=C(C=C2)OC

Isomeric SMILES

CC(C)C(CC(=O)NCCC1=CC=CC=C1)(C(=O)O)NS(=O)(=O)C2=CC=C(C=C2)OC

InChI

InChI=1S/C22H28N2O6S/c1-16(2)22(21(26)27,15-20(25)23-14-13-17-7-5-4-6-8-17)24-31(28,29)19-11-9-18(30-3)10-12-19/h4-12,16,24H,13-15H2,1-3H3,(H,23,25)(H,26,27)