methyl 4-methylsulfanyl-2-[[3-phenyl-5-[(4-sulfanylpyrrolidin-2-yl)methylamino]phenyl]carbonylamino]butanoate

Systemtic Name: methyl 4-methylsulfanyl-2-[[3-phenyl-5-[(4-sulfanylpyrrolidin-2-yl)methylamino]phenyl]carbonylamino]butanoate Openeye Name: methyl 4-methylsulfanyl-2-[[3-phenyl-5-[(4-sulfanylpyrrolidin-2-yl)methylamino]benzoyl]amino]butanoate CAS Name: 2-[[[3-[(4-mercapto-2-pyrrolidinyl)methylamino]-5-phenylphenyl]-oxomethyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl 4-methylsulfanyl-2-[[3-phenyl-5-[(4-sulfanylpyrrolidin-2-yl)methylamino]benzoyl]amino]butanoate Traditional Name: 2-[[3-[(4-mercaptopyrrolidin-2-yl)methylamino]-5-phenyl-benzoyl]amino]-4-(methylthio)butyric acid methyl ester Formula: C24H31N3O3S2 MolecularWeight: 473.65124

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCSC)NC(=O)C1=CC(=CC(=C1)C2=CC=CC=C2)NCC3CC(CN3)S

Isomeric SMILES

COC(=O)C(CCSC)NC(=O)C1=CC(=CC(=C1)C2=CC=CC=C2)NCC3CC(CN3)S

InChI

InChI=1S/C24H31N3O3S2/c1-30-24(29)22(8-9-32-2)27-23(28)18-10-17(16-6-4-3-5-7-16)11-19(12-18)25-14-20-13-21(31)15-26-20/h3-7,10-12,20-22,25-26,31H,8-9,13-15H2,1-2H3,(H,27,28)