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

Systemtic Name: methyl 2-[[3-phenyl-2-(phenylcarbonylsulfanylmethyl)propanoyl]amino]-3-(4-pyridin-3-ylphenyl)propanoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 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=CN=CC=C2)NC(=O)C(CC3=CC=CC=C3)CSC(=O)C4=CC=CC=C4

Isomeric SMILES

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

InChI

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