methyl (2S)-2-[2-[(3,4-dichlorophenyl)carbonylamino]ethanoylamino]-4-methylsulfanyl-butanoate

Systemtic Name: methyl (2S)-2-[2-[(3,4-dichlorophenyl)carbonylamino]ethanoylamino]-4-methylsulfanyl-butanoate Openeye Name: methyl (2S)-2-[[2-[(3,4-dichlorobenzoyl)amino]acetyl]amino]-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[[2-[[(3,4-dichlorophenyl)-oxomethyl]amino]-1-oxoethyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[2-[(3,4-dichlorobenzoyl)amino]acetyl]amino]-4-methylsulfanylbutanoate Traditional Name: (2S)-2-[[2-[(3,4-dichlorobenzoyl)amino]acetyl]amino]-4-(methylthio)butyric acid methyl ester Formula: C15H18Cl2N2O4S MolecularWeight: 393.28542

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCSC)NC(=O)CNC(=O)C1=CC(=C(C=C1)Cl)Cl

Isomeric SMILES

COC(=O)[C@H](CCSC)NC(=O)CNC(=O)C1=CC(=C(C=C1)Cl)Cl

InChI

InChI=1S/C15H18Cl2N2O4S/c1-23-15(22)12(5-6-24-2)19-13(20)8-18-14(21)9-3-4-10(16)11(17)7-9/h3-4,7,12H,5-6,8H2,1-2H3,(H,18,21)(H,19,20)/t12-/m0/s1