3-(phenylmethoxycarbonylamino)-2-[3-(phenylsulfonyloxy)phenyl]propanoic acid

Systemtic Name: 3-(phenylmethoxycarbonylamino)-2-[3-(phenylsulfonyloxy)phenyl]propanoic acid Openeye Name: 2-[3-(benzenesulfonyloxy)phenyl]-3-(benzyloxycarbonylamino)propanoic acid CAS Name: 2-[3-(benzenesulfonyloxy)phenyl]-3-(phenylmethoxycarbonylamino)propanoic acid IUPAC Name: 2-[3-(benzenesulfonyloxy)phenyl]-3-(phenylmethoxycarbonylamino)propanoic acid Traditional Name: 3-(benzyloxycarbonylamino)-2-(3-besyloxyphenyl)propionic acid Formula: C23H21NO7S MolecularWeight: 455.48034

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)NCC(C2=CC(=CC=C2)OS(=O)(=O)C3=CC=CC=C3)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)NCC(C2=CC(=CC=C2)OS(=O)(=O)C3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C23H21NO7S/c25-22(26)21(15-24-23(27)30-16-17-8-3-1-4-9-17)18-10-7-11-19(14-18)31-32(28,29)20-12-5-2-6-13-20/h1-14,21H,15-16H2,(H,24,27)(H,25,26)