(2S)-2-[1,3-benzothiazol-2-yl(methyl)amino]-4-methyl-pentanoic acid

Systemtic Name: (2S)-2-[1,3-benzothiazol-2-yl(methyl)amino]-4-methyl-pentanoic acid Openeye Name: (2S)-2-[1,3-benzothiazol-2-yl(methyl)amino]-4-methyl-pentanoic acid CAS Name: (2S)-2-[1,3-benzothiazol-2-yl(methyl)amino]-4-methylpentanoic acid IUPAC Name: (2S)-2-[1,3-benzothiazol-2-yl(methyl)amino]-4-methylpentanoic acid Traditional Name: (2S)-2-[1,3-benzothiazol-2-yl(methyl)amino]-4-methyl-valeric acid Formula: C14H18N2O2S MolecularWeight: 278.36992

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18N2O2S/c1-9(2)8-11(13(17)18)16(3)14-15-10-6-4-5-7-12(10)19-14/h4-7,9,11H,8H2,1-3H3,(H,17,18)/t11-/m0/s1