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

Systemtic Name: methyl 4-methylsulfanyl-2-[[3-[(4-sulfanylpyrrolidin-2-yl)methylamino]phenyl]carbonylamino]butanoate Openeye Name: methyl 4-methylsulfanyl-2-[[3-[(4-sulfanylpyrrolidin-2-yl)methylamino]benzoyl]amino]butanoate CAS Name: 2-[[[3-[(4-mercapto-2-pyrrolidinyl)methylamino]phenyl]-oxomethyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl 4-methylsulfanyl-2-[[3-[(4-sulfanylpyrrolidin-2-yl)methylamino]benzoyl]amino]butanoate Traditional Name: 2-[[3-[(4-mercaptopyrrolidin-2-yl)methylamino]benzoyl]amino]-4-(methylthio)butyric acid methyl ester Formula: C18H27N3O3S2 MolecularWeight: 397.55528

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H27N3O3S2/c1-24-18(23)16(6-7-26-2)21-17(22)12-4-3-5-13(8-12)19-10-14-9-15(25)11-20-14/h3-5,8,14-16,19-20,25H,6-7,9-11H2,1-2H3,(H,21,22)