3-[[(2S)-3-(4-methoxyphenyl)-1-(methylamino)-1-oxidanylidene-propan-2-yl]sulfamoyl]-5-phenyl-pentanoic acid

Systemtic Name: 3-[[(2S)-3-(4-methoxyphenyl)-1-(methylamino)-1-oxidanylidene-propan-2-yl]sulfamoyl]-5-phenyl-pentanoic acid Openeye Name: 3-[[(1S)-1-[(4-methoxyphenyl)methyl]-2-(methylamino)-2-oxo-ethyl]sulfamoyl]-5-phenyl-pentanoic acid CAS Name: 3-[[(2S)-3-(4-methoxyphenyl)-1-(methylamino)-1-oxopropan-2-yl]sulfamoyl]-5-phenylpentanoic acid IUPAC Name: 3-[[(2S)-3-(4-methoxyphenyl)-1-(methylamino)-1-oxopropan-2-yl]sulfamoyl]-5-phenylpentanoic acid Traditional Name: 3-[[(1S)-2-keto-2-(methylamino)-1-p-anisyl-ethyl]sulfamoyl]-5-phenyl-valeric acid Formula: C22H28N2O6S MolecularWeight: 448.53252

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C(CC1=CC=C(C=C1)OC)NS(=O)(=O)C(CCC2=CC=CC=C2)CC(=O)O

Isomeric SMILES

CNC(=O)[C@H](CC1=CC=C(C=C1)OC)NS(=O)(=O)C(CCC2=CC=CC=C2)CC(=O)O

InChI

InChI=1S/C22H28N2O6S/c1-23-22(27)20(14-17-8-11-18(30-2)12-9-17)24-31(28,29)19(15-21(25)26)13-10-16-6-4-3-5-7-16/h3-9,11-12,19-20,24H,10,13-15H2,1-2H3,(H,23,27)(H,25,26)/t19?,20-/m0/s1