3-[2-[2-(3,3-dimethylbutanoylamino)-1,3-thiazol-4-yl]ethanoylamino]propanoic acid

Systemtic Name: 3-[2-[2-(3,3-dimethylbutanoylamino)-1,3-thiazol-4-yl]ethanoylamino]propanoic acid Openeye Name: 3-[[2-[2-(3,3-dimethylbutanoylamino)thiazol-4-yl]acetyl]amino]propanoic acid CAS Name: 3-[[2-[2-[(3,3-dimethyl-1-oxobutyl)amino]-4-thiazolyl]-1-oxoethyl]amino]propanoic acid IUPAC Name: 3-[[2-[2-(3,3-dimethylbutanoylamino)-1,3-thiazol-4-yl]acetyl]amino]propanoic acid Traditional Name: 3-[[2-[2-(3,3-dimethylbutanoylamino)thiazol-4-yl]acetyl]amino]propionic acid Formula: C14H21N3O4S MolecularWeight: 327.39924

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H21N3O4S/c1-14(2,3)7-11(19)17-13-16-9(8-22-13)6-10(18)15-5-4-12(20)21/h8H,4-7H2,1-3H3,(H,15,18)(H,20,21)(H,16,17,19)