methyl 4-[[2-[(2-chlorophenyl)carbonylamino]-4-methylsulfanyl-butanoyl]amino]butanoate

Systemtic Name: methyl 4-[[2-[(2-chlorophenyl)carbonylamino]-4-methylsulfanyl-butanoyl]amino]butanoate Openeye Name: methyl 4-[[2-[(2-chlorobenzoyl)amino]-4-methylsulfanyl-butanoyl]amino]butanoate CAS Name: 4-[[2-[[(2-chlorophenyl)-oxomethyl]amino]-4-(methylthio)-1-oxobutyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[[2-[(2-chlorobenzoyl)amino]-4-methylsulfanylbutanoyl]amino]butanoate Traditional Name: 4-[[2-[(2-chlorobenzoyl)amino]-4-(methylthio)butanoyl]amino]butyric acid methyl ester Formula: C17H23ClN2O4S MolecularWeight: 386.89352

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCNC(=O)C(CCSC)NC(=O)C1=CC=CC=C1Cl

Isomeric SMILES

COC(=O)CCCNC(=O)C(CCSC)NC(=O)C1=CC=CC=C1Cl

InChI

InChI=1S/C17H23ClN2O4S/c1-24-15(21)8-5-10-19-17(23)14(9-11-25-2)20-16(22)12-6-3-4-7-13(12)18/h3-4,6-7,14H,5,8-11H2,1-2H3,(H,19,23)(H,20,22)