2-[(4-methoxyphenyl)sulfonyl-[2-oxidanylidene-2-(phenethylamino)ethyl]amino]-3-methyl-butanoic acid

Systemtic Name: 2-[(4-methoxyphenyl)sulfonyl-[2-oxidanylidene-2-(phenethylamino)ethyl]amino]-3-methyl-butanoic acid Openeye Name: 2-[(4-methoxyphenyl)sulfonyl-[2-oxo-2-(phenethylamino)ethyl]amino]-3-methyl-butanoic acid CAS Name: 2-[(4-methoxyphenyl)sulfonyl-[2-oxo-2-(phenethylamino)ethyl]amino]-3-methylbutanoic acid IUPAC Name: 2-[(4-methoxyphenyl)sulfonyl-[2-oxo-2-(phenethylamino)ethyl]amino]-3-methylbutanoic acid Traditional Name: 2-[[2-keto-2-(phenethylamino)ethyl]-(4-methoxyphenyl)sulfonyl-amino]-3-methyl-butyric acid Formula: C22H28N2O6S MolecularWeight: 448.53252

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)N(CC(=O)NCCC1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)OC

Isomeric SMILES

CC(C)C(C(=O)O)N(CC(=O)NCCC1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)OC

InChI

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