2-[(4-methoxyphenyl)sulfonylamino]-3-(phenylmethoxycarbonylamino)propanoic acid

Systemtic Name: 2-[(4-methoxyphenyl)sulfonylamino]-3-(phenylmethoxycarbonylamino)propanoic acid Openeye Name: 3-(benzyloxycarbonylamino)-2-[(4-methoxyphenyl)sulfonylamino]propanoic acid CAS Name: 2-[(4-methoxyphenyl)sulfonylamino]-3-(phenylmethoxycarbonylamino)propanoic acid IUPAC Name: 2-[(4-methoxyphenyl)sulfonylamino]-3-(phenylmethoxycarbonylamino)propanoic acid Traditional Name: 3-(benzyloxycarbonylamino)-2-[(4-methoxyphenyl)sulfonylamino]propionic acid Formula: C18H20N2O7S MolecularWeight: 408.4256

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)NC(CNC(=O)OCC2=CC=CC=C2)C(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)NC(CNC(=O)OCC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C18H20N2O7S/c1-26-14-7-9-15(10-8-14)28(24,25)20-16(17(21)22)11-19-18(23)27-12-13-5-3-2-4-6-13/h2-10,16,20H,11-12H2,1H3,(H,19,23)(H,21,22)