2-[2-(4-fluorophenyl)sulfanylethanoylamino]-3-methyl-pentanoic acid

Systemtic Name: 2-[2-(4-fluorophenyl)sulfanylethanoylamino]-3-methyl-pentanoic acid Openeye Name: 2-[[2-(4-fluorophenyl)sulfanylacetyl]amino]-3-methyl-pentanoic acid CAS Name: 2-[[2-[(4-fluorophenyl)thio]-1-oxoethyl]amino]-3-methylpentanoic acid IUPAC Name: 2-[[2-(4-fluorophenyl)sulfanylacetyl]amino]-3-methylpentanoic acid Traditional Name: 2-[[2-[(4-fluorophenyl)thio]acetyl]amino]-3-methyl-valeric acid Formula: C14H18FNO3S MolecularWeight: 299.361023

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)O)NC(=O)CSC1=CC=C(C=C1)F

Isomeric SMILES

CCC(C)C(C(=O)O)NC(=O)CSC1=CC=C(C=C1)F

InChI

InChI=1S/C14H18FNO3S/c1-3-9(2)13(14(18)19)16-12(17)8-20-11-6-4-10(15)5-7-11/h4-7,9,13H,3,8H2,1-2H3,(H,16,17)(H,18,19)