(phenylmethyl) 2-[(4-phenylphenyl)-[3-phenyl-2-(phenylcarbonylsulfanylmethyl)propanoyl]amino]propanoate

Systemtic Name: (phenylmethyl) 2-[(4-phenylphenyl)-[3-phenyl-2-(phenylcarbonylsulfanylmethyl)propanoyl]amino]propanoate Openeye Name: benzyl 2-(N-[2-(benzoylsulfanylmethyl)-3-phenyl-propanoyl]-4-phenyl-anilino)propanoate CAS Name: 2-(N-[2-[(benzoylthio)methyl]-1-oxo-3-phenylpropyl]-4-phenylanilino)propanoic acid (phenylmethyl) ester IUPAC Name: benzyl 2-(N-[2-(benzoylsulfanylmethyl)-3-phenylpropanoyl]-4-phenylanilino)propanoate Traditional Name: 2-(N-[2-[(benzoylthio)methyl]-3-phenyl-propanoyl]-4-phenyl-anilino)propionic acid benzyl ester Formula: C39H35NO4S MolecularWeight: 613.7645

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC1=CC=CC=C1)N(C2=CC=C(C=C2)C3=CC=CC=C3)C(=O)C(CC4=CC=CC=C4)CSC(=O)C5=CC=CC=C5

Isomeric SMILES

CC(C(=O)OCC1=CC=CC=C1)N(C2=CC=C(C=C2)C3=CC=CC=C3)C(=O)C(CC4=CC=CC=C4)CSC(=O)C5=CC=CC=C5

InChI

InChI=1S/C39H35NO4S/c1-29(38(42)44-27-31-16-8-3-9-17-31)40(36-24-22-33(23-25-36)32-18-10-4-11-19-32)37(41)35(26-30-14-6-2-7-15-30)28-45-39(43)34-20-12-5-13-21-34/h2-25,29,35H,26-28H2,1H3