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

Systemtic Name: 2-[3-(4-fluorophenyl)sulfanylpropanoylamino]-3-methyl-pentanoic acid Openeye Name: 2-[3-(4-fluorophenyl)sulfanylpropanoylamino]-3-methyl-pentanoic acid CAS Name: 2-[[3-[(4-fluorophenyl)thio]-1-oxopropyl]amino]-3-methylpentanoic acid IUPAC Name: 2-[3-(4-fluorophenyl)sulfanylpropanoylamino]-3-methylpentanoic acid Traditional Name: 2-[3-[(4-fluorophenyl)thio]propanoylamino]-3-methyl-valeric acid Formula: C15H20FNO3S MolecularWeight: 313.387603

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)O)NC(=O)CCSC1=CC=C(C=C1)F

Isomeric SMILES

CCC(C)C(C(=O)O)NC(=O)CCSC1=CC=C(C=C1)F

InChI

InChI=1S/C15H20FNO3S/c1-3-10(2)14(15(19)20)17-13(18)8-9-21-12-6-4-11(16)5-7-12/h4-7,10,14H,3,8-9H2,1-2H3,(H,17,18)(H,19,20)