2-[[4-(4-methylphenyl)sulfonyloxyphenyl]methyl]-3-(phenylmethoxycarbonylamino)propanoic acid

Systemtic Name: 2-[[4-(4-methylphenyl)sulfonyloxyphenyl]methyl]-3-(phenylmethoxycarbonylamino)propanoic acid Openeye Name: 2-(benzyloxycarbonylaminomethyl)-3-[4-(p-tolylsulfonyloxy)phenyl]propanoic acid CAS Name: 2-[[4-(4-methylphenyl)sulfonyloxyphenyl]methyl]-3-(phenylmethoxycarbonylamino)propanoic acid IUPAC Name: 2-[[4-(4-methylphenyl)sulfonyloxyphenyl]methyl]-3-(phenylmethoxycarbonylamino)propanoic acid Traditional Name: 2-(benzyloxycarbonylaminomethyl)-3-(4-tosyloxyphenyl)propionic acid Formula: C25H25NO7S MolecularWeight: 483.5335

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H25NO7S/c1-18-7-13-23(14-8-18)34(30,31)33-22-11-9-19(10-12-22)15-21(24(27)28)16-26-25(29)32-17-20-5-3-2-4-6-20/h2-14,21H,15-17H2,1H3,(H,26,29)(H,27,28)