2-(aminocarbonylamino)-2-(2-ethanoylsulfanylethyl)-6-(4-fluorophenyl)hexanoic acid

Systemtic Name: 2-(aminocarbonylamino)-2-(2-ethanoylsulfanylethyl)-6-(4-fluorophenyl)hexanoic acid Openeye Name: 2-(2-acetylsulfanylethyl)-6-(4-fluorophenyl)-2-ureido-hexanoic acid CAS Name: 2-[2-(acetylthio)ethyl]-2-(carbamoylamino)-6-(4-fluorophenyl)hexanoic acid IUPAC Name: 2-(2-acetylsulfanylethyl)-2-(carbamoylamino)-6-(4-fluorophenyl)hexanoic acid Traditional Name: 2-[2-(acetylthio)ethyl]-6-(4-fluorophenyl)-2-ureido-hexanoic acid Formula: C17H23FN2O4S MolecularWeight: 370.438923

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCCC(CCCCC1=CC=C(C=C1)F)(C(=O)O)NC(=O)N

Isomeric SMILES

CC(=O)SCCC(CCCCC1=CC=C(C=C1)F)(C(=O)O)NC(=O)N

InChI

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