2-[(2-acetamido-1,3-thiazol-4-yl)methylamino]-2-methyl-pentanoic acid

Systemtic Name: 2-[(2-acetamido-1,3-thiazol-4-yl)methylamino]-2-methyl-pentanoic acid Openeye Name: 2-[(2-acetamidothiazol-4-yl)methylamino]-2-methyl-pentanoic acid CAS Name: 2-[(2-acetamido-4-thiazolyl)methylamino]-2-methylpentanoic acid IUPAC Name: 2-[(2-acetamido-1,3-thiazol-4-yl)methylamino]-2-methylpentanoic acid Traditional Name: 2-[(2-acetamidothiazol-4-yl)methylamino]-2-methyl-valeric acid Formula: C12H19N3O3S MolecularWeight: 285.36256

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)(C(=O)O)NCC1=CSC(=N1)NC(=O)C

Isomeric SMILES

CCCC(C)(C(=O)O)NCC1=CSC(=N1)NC(=O)C

InChI

InChI=1S/C12H19N3O3S/c1-4-5-12(3,10(17)18)13-6-9-7-19-11(15-9)14-8(2)16/h7,13H,4-6H2,1-3H3,(H,17,18)(H,14,15,16)