ethyl 2-[[3-phenyl-2-(phenylcarbonylsulfanylmethyl)propanoyl]amino]-3-(4-pyrimidin-5-ylphenyl)propanoate

Systemtic Name: ethyl 2-[[3-phenyl-2-(phenylcarbonylsulfanylmethyl)propanoyl]amino]-3-(4-pyrimidin-5-ylphenyl)propanoate Openeye Name: ethyl 2-[[2-(benzoylsulfanylmethyl)-3-phenyl-propanoyl]amino]-3-(4-pyrimidin-5-ylphenyl)propanoate CAS Name: 2-[[2-[(benzoylthio)methyl]-1-oxo-3-phenylpropyl]amino]-3-[4-(5-pyrimidinyl)phenyl]propanoic acid ethyl ester IUPAC Name: ethyl 2-[[2-(benzoylsulfanylmethyl)-3-phenylpropanoyl]amino]-3-(4-pyrimidin-5-ylphenyl)propanoate Traditional Name: 2-[[2-[(benzoylthio)methyl]-3-phenyl-propanoyl]amino]-3-[4-(5-pyrimidyl)phenyl]propionic acid ethyl ester Formula: C32H31N3O4S MolecularWeight: 553.67124

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C32H31N3O4S/c1-2-39-31(37)29(18-24-13-15-25(16-14-24)28-19-33-22-34-20-28)35-30(36)27(17-23-9-5-3-6-10-23)21-40-32(38)26-11-7-4-8-12-26/h3-16,19-20,22,27,29H,2,17-18,21H2,1H3,(H,35,36)