2-[2-(3-methylbutanoylamino)-1,3-thiazol-4-yl]ethanoic acid

Systemtic Name: 2-[2-(3-methylbutanoylamino)-1,3-thiazol-4-yl]ethanoic acid Openeye Name: 2-[2-(3-methylbutanoylamino)thiazol-4-yl]acetic acid CAS Name: 2-[2-[(3-methyl-1-oxobutyl)amino]-4-thiazolyl]acetic acid IUPAC Name: 2-[2-(3-methylbutanoylamino)-1,3-thiazol-4-yl]acetic acid Traditional Name: 2-[2-(isovalerylamino)thiazol-4-yl]acetic acid Formula: C10H14N2O3S MolecularWeight: 242.29476

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC1=NC(=CS1)CC(=O)O

Isomeric SMILES

CC(C)CC(=O)NC1=NC(=CS1)CC(=O)O

InChI

InChI=1S/C10H14N2O3S/c1-6(2)3-8(13)12-10-11-7(5-16-10)4-9(14)15/h5-6H,3-4H2,1-2H3,(H,14,15)(H,11,12,13)