(2S)-2-[[5-(dimethylsulfamoyl)-2-methyl-phenyl]carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: (2S)-2-[[5-(dimethylsulfamoyl)-2-methyl-phenyl]carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: (2S)-2-[[5-(dimethylsulfamoyl)-2-methyl-benzoyl]amino]-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[[[5-(dimethylsulfamoyl)-2-methylphenyl]-oxomethyl]amino]-4-(methylthio)butanoate IUPAC Name: (2S)-2-[[5-(dimethylsulfamoyl)-2-methylbenzoyl]amino]-4-methylsulfanylbutanoate Traditional Name: (2S)-2-[[5-(dimethylsulfamoyl)-2-methyl-benzoyl]amino]-4-(methylthio)butyrate Formula: C15H21N2O5S2- MolecularWeight: 373.46764

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N(C)C)C(=O)NC(CCSC)C(=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N(C)C)C(=O)N[C@@H](CCSC)C(=O)[O-]

InChI

InChI=1S/C15H22N2O5S2/c1-10-5-6-11(24(21,22)17(2)3)9-12(10)14(18)16-13(15(19)20)7-8-23-4/h5-6,9,13H,7-8H2,1-4H3,(H,16,18)(H,19,20)/p-1/t13-/m0/s1