2-[carboxy-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]amino]-4-methyl-pentanoic acid

Systemtic Name: 2-[carboxy-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]amino]-4-methyl-pentanoic acid Openeye Name: 2-[carboxy-[2-(2-methylthiazol-4-yl)ethyl]amino]-4-methyl-pentanoic acid CAS Name: 2-[carboxy-[2-(2-methyl-4-thiazolyl)ethyl]amino]-4-methylpentanoic acid IUPAC Name: 2-[carboxy-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]amino]-4-methylpentanoic acid Traditional Name: 2-[carboxy-[2-(2-methylthiazol-4-yl)ethyl]amino]-4-methyl-valeric acid Formula: C13H20N2O4S MolecularWeight: 300.3739

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CS1)CCN(C(CC(C)C)C(=O)O)C(=O)O

Isomeric SMILES

CC1=NC(=CS1)CCN(C(CC(C)C)C(=O)O)C(=O)O

InChI

InChI=1S/C13H20N2O4S/c1-8(2)6-11(12(16)17)15(13(18)19)5-4-10-7-20-9(3)14-10/h7-8,11H,4-6H2,1-3H3,(H,16,17)(H,18,19)