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

Systemtic Name: 2-[2-[(4-fluorophenyl)methylsulfanyl]ethanoylamino]-3-methyl-pentanoic acid Openeye Name: 2-[[2-[(4-fluorophenyl)methylsulfanyl]acetyl]amino]-3-methyl-pentanoic acid CAS Name: 2-[[2-[(4-fluorophenyl)methylthio]-1-oxoethyl]amino]-3-methylpentanoic acid IUPAC Name: 2-[[2-[(4-fluorophenyl)methylsulfanyl]acetyl]amino]-3-methylpentanoic acid Traditional Name: 2-[[2-[(4-fluorobenzyl)thio]acetyl]amino]-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)CSCC1=CC=C(C=C1)F

Isomeric SMILES

CCC(C)C(C(=O)O)NC(=O)CSCC1=CC=C(C=C1)F

InChI

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