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

Systemtic Name: 2-[(4-methylsulfonyloxyphenyl)methyl]-3-(phenylmethoxycarbonylamino)propanoic acid Openeye Name: 2-(benzyloxycarbonylaminomethyl)-3-(4-methylsulfonyloxyphenyl)propanoic acid CAS Name: 2-[(4-methylsulfonyloxyphenyl)methyl]-3-(phenylmethoxycarbonylamino)propanoic acid IUPAC Name: 2-[(4-methylsulfonyloxyphenyl)methyl]-3-(phenylmethoxycarbonylamino)propanoic acid Traditional Name: 2-(benzyloxycarbonylaminomethyl)-3-(4-methylsulfonyloxyphenyl)propionic acid Formula: C19H21NO7S MolecularWeight: 407.43754

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OC1=CC=C(C=C1)CC(CNC(=O)OCC2=CC=CC=C2)C(=O)O

Isomeric SMILES

CS(=O)(=O)OC1=CC=C(C=C1)CC(CNC(=O)OCC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C19H21NO7S/c1-28(24,25)27-17-9-7-14(8-10-17)11-16(18(21)22)12-20-19(23)26-13-15-5-3-2-4-6-15/h2-10,16H,11-13H2,1H3,(H,20,23)(H,21,22)