3-[[4-(4-methylphenyl)sulfonyloxyphenyl]methyl]-4-(phenylmethoxycarbonylamino)butanoic acid

Systemtic Name: 3-[[4-(4-methylphenyl)sulfonyloxyphenyl]methyl]-4-(phenylmethoxycarbonylamino)butanoic acid Openeye Name: 3-(benzyloxycarbonylaminomethyl)-4-[4-(p-tolylsulfonyloxy)phenyl]butanoic acid CAS Name: 3-[[4-(4-methylphenyl)sulfonyloxyphenyl]methyl]-4-(phenylmethoxycarbonylamino)butanoic acid IUPAC Name: 3-[[4-(4-methylphenyl)sulfonyloxyphenyl]methyl]-4-(phenylmethoxycarbonylamino)butanoic acid Traditional Name: 3-(benzyloxycarbonylaminomethyl)-4-(4-tosyloxyphenyl)butyric acid Formula: C26H27NO7S MolecularWeight: 497.56008

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)CC(CC(=O)O)CNC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)CC(CC(=O)O)CNC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C26H27NO7S/c1-19-7-13-24(14-8-19)35(31,32)34-23-11-9-20(10-12-23)15-22(16-25(28)29)17-27-26(30)33-18-21-5-3-2-4-6-21/h2-14,22H,15-18H2,1H3,(H,27,30)(H,28,29)