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

Systemtic Name: 2-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethanoylamino]-3-methyl-pentanoic acid Openeye Name: 2-[[2-[2-(4-fluorophenyl)thiazol-4-yl]acetyl]amino]-3-methyl-pentanoic acid CAS Name: 2-[[2-[2-(4-fluorophenyl)-4-thiazolyl]-1-oxoethyl]amino]-3-methylpentanoic acid IUPAC Name: 2-[[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]acetyl]amino]-3-methylpentanoic acid Traditional Name: 2-[[2-[2-(4-fluorophenyl)thiazol-4-yl]acetyl]amino]-3-methyl-valeric acid Formula: C17H19FN2O3S MolecularWeight: 350.407763

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)O)NC(=O)CC1=CSC(=N1)C2=CC=C(C=C2)F

Isomeric SMILES

CCC(C)C(C(=O)O)NC(=O)CC1=CSC(=N1)C2=CC=C(C=C2)F

InChI

InChI=1S/C17H19FN2O3S/c1-3-10(2)15(17(22)23)20-14(21)8-13-9-24-16(19-13)11-4-6-12(18)7-5-11/h4-7,9-10,15H,3,8H2,1-2H3,(H,20,21)(H,22,23)