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

Systemtic Name: (phenylmethyl) 2-[[3-phenyl-2-(phenylcarbonylsulfanylmethyl)propanoyl]amino]-3-(4-pyridin-3-ylphenyl)propanoate Openeye Name: benzyl 2-[[2-(benzoylsulfanylmethyl)-3-phenyl-propanoyl]amino]-3-[4-(3-pyridyl)phenyl]propanoate CAS Name: 2-[[2-[(benzoylthio)methyl]-1-oxo-3-phenylpropyl]amino]-3-[4-(3-pyridinyl)phenyl]propanoic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[[2-(benzoylsulfanylmethyl)-3-phenylpropanoyl]amino]-3-(4-pyridin-3-ylphenyl)propanoate Traditional Name: 2-[[2-[(benzoylthio)methyl]-3-phenyl-propanoyl]amino]-3-[4-(3-pyridyl)phenyl]propionic acid benzyl ester Formula: C38H34N2O4S MolecularWeight: 614.75256

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(CSC(=O)C2=CC=CC=C2)C(=O)NC(CC3=CC=C(C=C3)C4=CN=CC=C4)C(=O)OCC5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)CC(CSC(=O)C2=CC=CC=C2)C(=O)NC(CC3=CC=C(C=C3)C4=CN=CC=C4)C(=O)OCC5=CC=CC=C5

InChI

InChI=1S/C38H34N2O4S/c41-36(34(23-28-11-4-1-5-12-28)27-45-38(43)32-15-8-3-9-16-32)40-35(37(42)44-26-30-13-6-2-7-14-30)24-29-18-20-31(21-19-29)33-17-10-22-39-25-33/h1-22,25,34-35H,23-24,26-27H2,(H,40,41)