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

Systemtic Name: methyl 4-methylsulfanyl-2-[[2-phenyl-4-[(4-sulfanylpyrrolidin-2-yl)methylamino]phenyl]carbonylamino]butanoate Openeye Name: methyl 4-methylsulfanyl-2-[[2-phenyl-4-[(4-sulfanylpyrrolidin-2-yl)methylamino]benzoyl]amino]butanoate CAS Name: 2-[[[4-[(4-mercapto-2-pyrrolidinyl)methylamino]-2-phenylphenyl]-oxomethyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl 4-methylsulfanyl-2-[[2-phenyl-4-[(4-sulfanylpyrrolidin-2-yl)methylamino]benzoyl]amino]butanoate Traditional Name: 2-[[4-[(4-mercaptopyrrolidin-2-yl)methylamino]-2-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=C(C=C(C=C1)NCC2CC(CN2)S)C3=CC=CC=C3

Isomeric SMILES

COC(=O)C(CCSC)NC(=O)C1=C(C=C(C=C1)NCC2CC(CN2)S)C3=CC=CC=C3

InChI

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