(2S)-2-(1,3-benzothiazol-2-ylsulfonylamino)-4-methyl-pentanoic acid

Systemtic Name: (2S)-2-(1,3-benzothiazol-2-ylsulfonylamino)-4-methyl-pentanoic acid Openeye Name: (2S)-2-(1,3-benzothiazol-2-ylsulfonylamino)-4-methyl-pentanoic acid CAS Name: (2S)-2-(1,3-benzothiazol-2-ylsulfonylamino)-4-methylpentanoic acid IUPAC Name: (2S)-2-(1,3-benzothiazol-2-ylsulfonylamino)-4-methylpentanoic acid Traditional Name: (2S)-2-(1,3-benzothiazol-2-ylsulfonylamino)-4-methyl-valeric acid Formula: C13H16N2O4S2 MolecularWeight: 328.40714

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)O)NS(=O)(=O)C1=NC2=CC=CC=C2S1

Isomeric SMILES

CC(C)C[C@@H](C(=O)O)NS(=O)(=O)C1=NC2=CC=CC=C2S1

InChI

InChI=1S/C13H16N2O4S2/c1-8(2)7-10(12(16)17)15-21(18,19)13-14-9-5-3-4-6-11(9)20-13/h3-6,8,10,15H,7H2,1-2H3,(H,16,17)/t10-/m0/s1