2-[[2-ethanoylsulfanylethyl-[3-(4-fluorophenyl)propyl]carbamoyl]amino]propanoate

Systemtic Name: 2-[[2-ethanoylsulfanylethyl-[3-(4-fluorophenyl)propyl]carbamoyl]amino]propanoate Openeye Name: 2-[[2-acetylsulfanylethyl-[3-(4-fluorophenyl)propyl]carbamoyl]amino]propanoate CAS Name: 2-[[[2-(acetylthio)ethyl-[3-(4-fluorophenyl)propyl]amino]-oxomethyl]amino]propanoate IUPAC Name: 2-[[2-acetylsulfanylethyl-[3-(4-fluorophenyl)propyl]carbamoyl]amino]propanoate Traditional Name: 2-[[2-(acetylthio)ethyl-[3-(4-fluorophenyl)propyl]carbamoyl]amino]propionate Formula: C17H22FN2O4S- MolecularWeight: 369.430983

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)[O-])NC(=O)N(CCCC1=CC=C(C=C1)F)CCSC(=O)C

Isomeric SMILES

CC(C(=O)[O-])NC(=O)N(CCCC1=CC=C(C=C1)F)CCSC(=O)C

InChI

InChI=1S/C17H23FN2O4S/c1-12(16(22)23)19-17(24)20(10-11-25-13(2)21)9-3-4-14-5-7-15(18)8-6-14/h5-8,12H,3-4,9-11H2,1-2H3,(H,19,24)(H,22,23)/p-1