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

Systemtic Name: methyl 2-[[3-phenyl-2-(phenylcarbonylsulfanylmethyl)propanoyl]amino]-3-(4-pyridin-2-ylphenyl)propanoate Openeye Name: methyl 2-[[2-(benzoylsulfanylmethyl)-3-phenyl-propanoyl]amino]-3-[4-(2-pyridyl)phenyl]propanoate CAS Name: 2-[[2-[(benzoylthio)methyl]-1-oxo-3-phenylpropyl]amino]-3-[4-(2-pyridinyl)phenyl]propanoic acid methyl ester IUPAC Name: methyl 2-[[2-(benzoylsulfanylmethyl)-3-phenylpropanoyl]amino]-3-(4-pyridin-2-ylphenyl)propanoate Traditional Name: 2-[[2-[(benzoylthio)methyl]-3-phenyl-propanoyl]amino]-3-[4-(2-pyridyl)phenyl]propionic acid methyl ester Formula: C32H30N2O4S MolecularWeight: 538.6566

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=C(C=C1)C2=CC=CC=N2)NC(=O)C(CC3=CC=CC=C3)CSC(=O)C4=CC=CC=C4

Isomeric SMILES

COC(=O)C(CC1=CC=C(C=C1)C2=CC=CC=N2)NC(=O)C(CC3=CC=CC=C3)CSC(=O)C4=CC=CC=C4

InChI

InChI=1S/C32H30N2O4S/c1-38-31(36)29(21-24-15-17-25(18-16-24)28-14-8-9-19-33-28)34-30(35)27(20-23-10-4-2-5-11-23)22-39-32(37)26-12-6-3-7-13-26/h2-19,27,29H,20-22H2,1H3,(H,34,35)