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

Systemtic Name: methyl 2-[[3-phenyl-2-(phenylcarbonylsulfanylmethyl)propanoyl]amino]-3-(4-pyrazin-2-ylphenyl)propanoate Openeye Name: methyl 2-[[2-(benzoylsulfanylmethyl)-3-phenyl-propanoyl]amino]-3-(4-pyrazin-2-ylphenyl)propanoate CAS Name: 2-[[2-[(benzoylthio)methyl]-1-oxo-3-phenylpropyl]amino]-3-[4-(2-pyrazinyl)phenyl]propanoic acid methyl ester IUPAC Name: methyl 2-[[2-(benzoylsulfanylmethyl)-3-phenylpropanoyl]amino]-3-(4-pyrazin-2-ylphenyl)propanoate Traditional Name: 2-[[2-[(benzoylthio)methyl]-3-phenyl-propanoyl]amino]-3-(4-pyrazin-2-ylphenyl)propionic acid methyl ester Formula: C31H29N3O4S MolecularWeight: 539.64466

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C31H29N3O4S/c1-38-30(36)27(19-23-12-14-24(15-13-23)28-20-32-16-17-33-28)34-29(35)26(18-22-8-4-2-5-9-22)21-39-31(37)25-10-6-3-7-11-25/h2-17,20,26-27H,18-19,21H2,1H3,(H,34,35)