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

Systemtic Name: 2-[(2-acetamido-1,3-thiazol-4-yl)carbonylamino]-3-methyl-pentanoic acid Openeye Name: 2-[(2-acetamidothiazole-4-carbonyl)amino]-3-methyl-pentanoic acid CAS Name: 2-[[(2-acetamido-4-thiazolyl)-oxomethyl]amino]-3-methylpentanoic acid IUPAC Name: 2-[(2-acetamido-1,3-thiazole-4-carbonyl)amino]-3-methylpentanoic acid Traditional Name: 2-[(2-acetamidothiazole-4-carbonyl)amino]-3-methyl-valeric acid Formula: C12H17N3O4S MolecularWeight: 299.34608

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)O)NC(=O)C1=CSC(=N1)NC(=O)C

Isomeric SMILES

CCC(C)C(C(=O)O)NC(=O)C1=CSC(=N1)NC(=O)C

InChI

InChI=1S/C12H17N3O4S/c1-4-6(2)9(11(18)19)15-10(17)8-5-20-12(14-8)13-7(3)16/h5-6,9H,4H2,1-3H3,(H,15,17)(H,18,19)(H,13,14,16)