3-[(4-fluorophenyl)methylsulfanyl]-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid

Systemtic Name: 3-[(4-fluorophenyl)methylsulfanyl]-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid Openeye Name: 2-(tert-butoxycarbonylamino)-3-[(4-fluorophenyl)methylsulfanyl]-3-methyl-butanoic acid CAS Name: 3-[(4-fluorophenyl)methylthio]-3-methyl-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]butanoic acid IUPAC Name: 3-[(4-fluorophenyl)methylsulfanyl]-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid Traditional Name: 2-(tert-butoxycarbonylamino)-3-[(4-fluorobenzyl)thio]-3-methyl-butyric acid Formula: C17H24FNO4S MolecularWeight: 357.440163

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(C(=O)O)C(C)(C)SCC1=CC=C(C=C1)F

Isomeric SMILES

CC(C)(C)OC(=O)NC(C(=O)O)C(C)(C)SCC1=CC=C(C=C1)F

InChI

InChI=1S/C17H24FNO4S/c1-16(2,3)23-15(22)19-13(14(20)21)17(4,5)24-10-11-6-8-12(18)9-7-11/h6-9,13H,10H2,1-5H3,(H,19,22)(H,20,21)