3-[3-(4-fluorophenyl)propylsulfanyl]-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate

Systemtic Name: 3-[3-(4-fluorophenyl)propylsulfanyl]-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate Openeye Name: 2-(tert-butoxycarbonylamino)-3-[3-(4-fluorophenyl)propylsulfanyl]-3-methyl-butanoate CAS Name: 3-[3-(4-fluorophenyl)propylthio]-3-methyl-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]butanoate IUPAC Name: 3-[3-(4-fluorophenyl)propylsulfanyl]-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate Traditional Name: 2-(tert-butoxycarbonylamino)-3-[3-(4-fluorophenyl)propylthio]-3-methyl-butyrate Formula: C19H27FNO4S- MolecularWeight: 384.485383

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(C(=O)[O-])C(C)(C)SCCCC1=CC=C(C=C1)F

Isomeric SMILES

CC(C)(C)OC(=O)NC(C(=O)[O-])C(C)(C)SCCCC1=CC=C(C=C1)F

InChI

InChI=1S/C19H28FNO4S/c1-18(2,3)25-17(24)21-15(16(22)23)19(4,5)26-12-6-7-13-8-10-14(20)11-9-13/h8-11,15H,6-7,12H2,1-5H3,(H,21,24)(H,22,23)/p-1