3-(4-fluorophenyl)sulfanyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid

Systemtic Name: 3-(4-fluorophenyl)sulfanyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid Openeye Name: 2-(tert-butoxycarbonylamino)-3-(4-fluorophenyl)sulfanyl-propanoic acid CAS Name: 3-[(4-fluorophenyl)thio]-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propanoic acid IUPAC Name: 3-(4-fluorophenyl)sulfanyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid Traditional Name: 2-(tert-butoxycarbonylamino)-3-[(4-fluorophenyl)thio]propionic acid Formula: C14H18FNO4S MolecularWeight: 315.360423

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18FNO4S/c1-14(2,3)20-13(19)16-11(12(17)18)8-21-10-6-4-9(15)5-7-10/h4-7,11H,8H2,1-3H3,(H,16,19)(H,17,18)