(2S)-3-methyl-2-[(6-methyl-2-oxidanylidene-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]butanoate

Systemtic Name: (2S)-3-methyl-2-[(6-methyl-2-oxidanylidene-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]butanoate Openeye Name: (2S)-3-methyl-2-[(6-methyl-2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]butanoate CAS Name: (2S)-3-methyl-2-[(6-methyl-2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]butanoate IUPAC Name: (2S)-3-methyl-2-[(6-methyl-2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]butanoate Traditional Name: (2S)-2-[(2-keto-6-methyl-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]-3-methyl-butyrate Formula: C13H16N3O5S- MolecularWeight: 326.34824

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1S(=O)(=O)NC(C(C)C)C(=O)[O-])NC(=O)N2

Isomeric SMILES

CC1=CC2=C(C=C1S(=O)(=O)N[C@@H](C(C)C)C(=O)[O-])NC(=O)N2

InChI

InChI=1S/C13H17N3O5S/c1-6(2)11(12(17)18)16-22(20,21)10-5-9-8(4-7(10)3)14-13(19)15-9/h4-6,11,16H,1-3H3,(H,17,18)(H2,14,15,19)/p-1/t11-/m0/s1