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

Systemtic Name: 2-[(4-phenylphenyl)methoxycarbonylamino]-3-[3-(phenylsulfonylamino)phenyl]propanoic acid Openeye Name: 3-[3-(benzenesulfonamido)phenyl]-2-[(4-phenylphenyl)methoxycarbonylamino]propanoic acid CAS Name: 3-[3-(benzenesulfonamido)phenyl]-2-[[oxo-[(4-phenylphenyl)methoxy]methyl]amino]propanoic acid IUPAC Name: 3-[3-(benzenesulfonamido)phenyl]-2-[(4-phenylphenyl)methoxycarbonylamino]propanoic acid Traditional Name: 3-[3-(benzenesulfonamido)phenyl]-2-[(4-phenylbenzyl)oxycarbonylamino]propionic acid Formula: C29H26N2O6S MolecularWeight: 530.59154

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C29H26N2O6S/c32-28(33)27(19-22-8-7-11-25(18-22)31-38(35,36)26-12-5-2-6-13-26)30-29(34)37-20-21-14-16-24(17-15-21)23-9-3-1-4-10-23/h1-18,27,31H,19-20H2,(H,30,34)(H,32,33)