2-(phenylmethoxycarbonylamino)-3-(4-sulfophenyl)propanoic acid

Systemtic Name: 2-(phenylmethoxycarbonylamino)-3-(4-sulfophenyl)propanoic acid Openeye Name: 2-(benzyloxycarbonylamino)-3-(4-sulfophenyl)propanoic acid CAS Name: 2-(phenylmethoxycarbonylamino)-3-(4-sulfophenyl)propanoic acid IUPAC Name: 2-(phenylmethoxycarbonylamino)-3-(4-sulfophenyl)propanoic acid Traditional Name: 2-(benzyloxycarbonylamino)-3-(4-sulfophenyl)propionic acid Formula: C17H17NO7S MolecularWeight: 379.38438

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)NC(CC2=CC=C(C=C2)S(=O)(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)NC(CC2=CC=C(C=C2)S(=O)(=O)O)C(=O)O

InChI

InChI=1S/C17H17NO7S/c19-16(20)15(10-12-6-8-14(9-7-12)26(22,23)24)18-17(21)25-11-13-4-2-1-3-5-13/h1-9,15H,10-11H2,(H,18,21)(H,19,20)(H,22,23,24)