3-(2-aminophenyl)sulfanyl-3-phenyl-2-(phenylmethoxycarbonylamino)propanoic acid

Systemtic Name: 3-(2-aminophenyl)sulfanyl-3-phenyl-2-(phenylmethoxycarbonylamino)propanoic acid Openeye Name: 3-(2-aminophenyl)sulfanyl-2-(benzyloxycarbonylamino)-3-phenyl-propanoic acid CAS Name: 3-[(2-aminophenyl)thio]-3-phenyl-2-(phenylmethoxycarbonylamino)propanoic acid IUPAC Name: 3-(2-aminophenyl)sulfanyl-3-phenyl-2-(phenylmethoxycarbonylamino)propanoic acid Traditional Name: 3-[(2-aminophenyl)thio]-2-(benzyloxycarbonylamino)-3-phenyl-propionic acid Formula: C23H22N2O4S MolecularWeight: 422.49678

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)NC(C(C2=CC=CC=C2)SC3=CC=CC=C3N)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)NC(C(C2=CC=CC=C2)SC3=CC=CC=C3N)C(=O)O

InChI

InChI=1S/C23H22N2O4S/c24-18-13-7-8-14-19(18)30-21(17-11-5-2-6-12-17)20(22(26)27)25-23(28)29-15-16-9-3-1-4-10-16/h1-14,20-21H,15,24H2,(H,25,28)(H,26,27)