6-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-8-[2-[(2-fluorophenyl)methylamino]-2-oxidanylidene-ethyl]sulfanyl-octanoic acid

Systemtic Name: 6-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-8-[2-[(2-fluorophenyl)methylamino]-2-oxidanylidene-ethyl]sulfanyl-octanoic acid Openeye Name: 6-(2-amino-2-oxo-ethyl)sulfanyl-8-[2-[(2-fluorophenyl)methylamino]-2-oxo-ethyl]sulfanyl-octanoic acid CAS Name: 6-[(2-amino-2-oxoethyl)thio]-8-[[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]thio]octanoic acid IUPAC Name: 6-(2-amino-2-oxoethyl)sulfanyl-8-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]sulfanyloctanoic acid Traditional Name: 6-[(2-amino-2-keto-ethyl)thio]-8-[[2-[(2-fluorobenzyl)amino]-2-keto-ethyl]thio]caprylic acid Formula: C19H27FN2O4S2 MolecularWeight: 430.557083

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CNC(=O)CSCCC(CCCCC(=O)O)SCC(=O)N)F

Isomeric SMILES

C1=CC=C(C(=C1)CNC(=O)CSCCC(CCCCC(=O)O)SCC(=O)N)F

InChI

InChI=1S/C19H27FN2O4S2/c20-16-7-3-1-5-14(16)11-22-18(24)13-27-10-9-15(28-12-17(21)23)6-2-4-8-19(25)26/h1,3,5,7,15H,2,4,6,8-13H2,(H2,21,23)(H,22,24)(H,25,26)