(2S)-4-methyl-2-[(2-oxidanylidene-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]pentanoate

Systemtic Name: (2S)-4-methyl-2-[(2-oxidanylidene-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]pentanoate Openeye Name: (2S)-4-methyl-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]pentanoate CAS Name: (2S)-4-methyl-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]pentanoate IUPAC Name: (2S)-4-methyl-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]pentanoate Traditional Name: (2S)-2-[(2-keto-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]-4-methyl-valerate Formula: C13H16N3O5S- MolecularWeight: 326.34824

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)[O-])NS(=O)(=O)C1=CC2=C(C=C1)NC(=O)N2

Isomeric SMILES

CC(C)C[C@@H](C(=O)[O-])NS(=O)(=O)C1=CC2=C(C=C1)NC(=O)N2

InChI

InChI=1S/C13H17N3O5S/c1-7(2)5-11(12(17)18)16-22(20,21)8-3-4-9-10(6-8)15-13(19)14-9/h3-4,6-7,11,16H,5H2,1-2H3,(H,17,18)(H2,14,15,19)/p-1/t11-/m0/s1