methyl 4-methylsulfanyl-2-[[4-[[(5-oxidanylidenepyrrolidin-2-yl)amino]methylsulfinylamino]-2-phenyl-phenyl]carbonylamino]butanoate

Systemtic Name: methyl 4-methylsulfanyl-2-[[4-[[(5-oxidanylidenepyrrolidin-2-yl)amino]methylsulfinylamino]-2-phenyl-phenyl]carbonylamino]butanoate Openeye Name: methyl 4-methylsulfanyl-2-[[4-[[(5-oxopyrrolidin-2-yl)amino]methylsulfinylamino]-2-phenyl-benzoyl]amino]butanoate CAS Name: 4-(methylthio)-2-[[oxo-[4-[[(5-oxo-2-pyrrolidinyl)amino]methylsulfinylamino]-2-phenylphenyl]methyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-methylsulfanyl-2-[[4-[[(5-oxopyrrolidin-2-yl)amino]methylsulfinylamino]-2-phenylbenzoyl]amino]butanoate Traditional Name: 2-[[4-[[(5-ketopyrrolidin-2-yl)amino]methylsulfinylamino]-2-phenyl-benzoyl]amino]-4-(methylthio)butyric acid methyl ester Formula: C24H30N4O5S2 MolecularWeight: 518.6488

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCSC)NC(=O)C1=C(C=C(C=C1)NS(=O)CNC2CCC(=O)N2)C3=CC=CC=C3

Isomeric SMILES

COC(=O)C(CCSC)NC(=O)C1=C(C=C(C=C1)NS(=O)CNC2CCC(=O)N2)C3=CC=CC=C3

InChI

InChI=1S/C24H30N4O5S2/c1-33-24(31)20(12-13-34-2)26-23(30)18-9-8-17(14-19(18)16-6-4-3-5-7-16)28-35(32)15-25-21-10-11-22(29)27-21/h3-9,14,20-21,25,28H,10-13,15H2,1-2H3,(H,26,30)(H,27,29)