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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)NC(=O)CC1=CSC(=N1)NC(=O)CC(C)(C)C

Isomeric SMILES

CC(C(=O)O)NC(=O)CC1=CSC(=N1)NC(=O)CC(C)(C)C

InChI

InChI=1S/C14H21N3O4S/c1-8(12(20)21)15-10(18)5-9-7-22-13(16-9)17-11(19)6-14(2,3)4/h7-8H,5-6H2,1-4H3,(H,15,18)(H,20,21)(H,16,17,19)