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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCSC)NC(=O)C1=C(C=CC(=C1)NCC2C(CCN2)S)C3=CC=CC=C3

Isomeric SMILES

COC(=O)C(CCSC)NC(=O)C1=C(C=CC(=C1)NCC2C(CCN2)S)C3=CC=CC=C3

InChI

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