3-[3-(1H-imidazol-2-ylsulfanylmethyl)phenyl]-2-[(4-phenylphenyl)carbamoylamino]propanoic acid

Systemtic Name: 3-[3-(1H-imidazol-2-ylsulfanylmethyl)phenyl]-2-[(4-phenylphenyl)carbamoylamino]propanoic acid Openeye Name: 3-[3-(1H-imidazol-2-ylsulfanylmethyl)phenyl]-2-[(4-phenylphenyl)carbamoylamino]propanoic acid CAS Name: 3-[3-[(1H-imidazol-2-ylthio)methyl]phenyl]-2-[[oxo-(4-phenylanilino)methyl]amino]propanoic acid IUPAC Name: 3-[3-(1H-imidazol-2-ylsulfanylmethyl)phenyl]-2-[(4-phenylphenyl)carbamoylamino]propanoic acid Traditional Name: 3-[3-[(1H-imidazol-2-ylthio)methyl]phenyl]-2-[(4-phenylphenyl)carbamoylamino]propionic acid Formula: C26H24N4O3S MolecularWeight: 472.55876

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC=C(C=C2)NC(=O)NC(CC3=CC(=CC=C3)CSC4=NC=CN4)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=CC=C(C=C2)NC(=O)NC(CC3=CC(=CC=C3)CSC4=NC=CN4)C(=O)O

InChI

InChI=1S/C26H24N4O3S/c31-24(32)23(16-18-5-4-6-19(15-18)17-34-26-27-13-14-28-26)30-25(33)29-22-11-9-21(10-12-22)20-7-2-1-3-8-20/h1-15,23H,16-17H2,(H,27,28)(H,31,32)(H2,29,30,33)