2-[[4-(phenoxymethyl)phenyl]methoxycarbonylamino]-3-[3-(phenylsulfonylamino)phenyl]propanoic acid

Systemtic Name: 2-[[4-(phenoxymethyl)phenyl]methoxycarbonylamino]-3-[3-(phenylsulfonylamino)phenyl]propanoic acid Openeye Name: 3-[3-(benzenesulfonamido)phenyl]-2-[[4-(phenoxymethyl)phenyl]methoxycarbonylamino]propanoic acid CAS Name: 3-[3-(benzenesulfonamido)phenyl]-2-[[oxo-[[4-(phenoxymethyl)phenyl]methoxy]methyl]amino]propanoic acid IUPAC Name: 3-[3-(benzenesulfonamido)phenyl]-2-[[4-(phenoxymethyl)phenyl]methoxycarbonylamino]propanoic acid Traditional Name: 3-[3-(benzenesulfonamido)phenyl]-2-[[4-(phenoxymethyl)benzyl]oxycarbonylamino]propionic acid Formula: C30H28N2O7S MolecularWeight: 560.61752

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OCC2=CC=C(C=C2)COC(=O)NC(CC3=CC(=CC=C3)NS(=O)(=O)C4=CC=CC=C4)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)OCC2=CC=C(C=C2)COC(=O)NC(CC3=CC(=CC=C3)NS(=O)(=O)C4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C30H28N2O7S/c33-29(34)28(19-24-8-7-9-25(18-24)32-40(36,37)27-12-5-2-6-13-27)31-30(35)39-21-23-16-14-22(15-17-23)20-38-26-10-3-1-4-11-26/h1-18,28,32H,19-21H2,(H,31,35)(H,33,34)