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

Systemtic Name: 2-[2-[2-(3,3-dimethylbutanoylamino)-1,3-thiazol-4-yl]ethanoylamino]-4-methyl-pentanoic acid Openeye Name: 2-[[2-[2-(3,3-dimethylbutanoylamino)thiazol-4-yl]acetyl]amino]-4-methyl-pentanoic acid CAS Name: 2-[[2-[2-[(3,3-dimethyl-1-oxobutyl)amino]-4-thiazolyl]-1-oxoethyl]amino]-4-methylpentanoic acid IUPAC Name: 2-[[2-[2-(3,3-dimethylbutanoylamino)-1,3-thiazol-4-yl]acetyl]amino]-4-methylpentanoic acid Traditional Name: 2-[[2-[2-(3,3-dimethylbutanoylamino)thiazol-4-yl]acetyl]amino]-4-methyl-valeric acid Formula: C17H27N3O4S MolecularWeight: 369.47898

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H27N3O4S/c1-10(2)6-12(15(23)24)19-13(21)7-11-9-25-16(18-11)20-14(22)8-17(3,4)5/h9-10,12H,6-8H2,1-5H3,(H,19,21)(H,23,24)(H,18,20,22)