4-nitrooxybutyl 2-acetamido-3-[2-(3-fluoranyl-4-phenyl-phenyl)propanoylsulfanyl]propanoate

Systemtic Name: 4-nitrooxybutyl 2-acetamido-3-[2-(3-fluoranyl-4-phenyl-phenyl)propanoylsulfanyl]propanoate Openeye Name: 4-nitrooxybutyl 2-acetamido-3-[2-(3-fluoro-4-phenyl-phenyl)propanoylsulfanyl]propanoate CAS Name: 2-acetamido-3-[[2-(3-fluoro-4-phenylphenyl)-1-oxopropyl]thio]propanoic acid 4-nitrooxybutyl ester IUPAC Name: 4-nitrooxybutyl 2-acetamido-3-[2-(3-fluoro-4-phenylphenyl)propanoylsulfanyl]propanoate Traditional Name: 2-acetamido-3-[2-(3-fluoro-4-phenyl-phenyl)propanoylthio]propionic acid 4-nitrooxybutyl ester Formula: C24H27FN2O7S MolecularWeight: 506.543783

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=C(C=C1)C2=CC=CC=C2)F)C(=O)SCC(C(=O)OCCCCO[N+](=O)[O-])NC(=O)C

Isomeric SMILES

CC(C1=CC(=C(C=C1)C2=CC=CC=C2)F)C(=O)SCC(C(=O)OCCCCO[N+](=O)[O-])NC(=O)C

InChI

InChI=1S/C24H27FN2O7S/c1-16(19-10-11-20(21(25)14-19)18-8-4-3-5-9-18)24(30)35-15-22(26-17(2)28)23(29)33-12-6-7-13-34-27(31)32/h3-5,8-11,14,16,22H,6-7,12-13,15H2,1-2H3,(H,26,28)