(Z)-7-[(1R,2R,3R,5S)-3,5-bis(oxidanyl)-2-(3-oxidanylidenedecyl)cyclopentyl]-N-[2-(2-nitroethylsulfanyl)ethyl]hept-5-enamide

Systemtic Name: (Z)-7-[(1R,2R,3R,5S)-3,5-bis(oxidanyl)-2-(3-oxidanylidenedecyl)cyclopentyl]-N-[2-(2-nitroethylsulfanyl)ethyl]hept-5-enamide Openeye Name: (Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-(3-oxodecyl)cyclopentyl]-N-[2-(2-nitroethylsulfanyl)ethyl]hept-5-enamide CAS Name: (Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-(3-oxodecyl)cyclopentyl]-N-[2-(2-nitroethylthio)ethyl]-5-heptenamide IUPAC Name: (Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-(3-oxodecyl)cyclopentyl]-N-[2-(2-nitroethylsulfanyl)ethyl]hept-5-enamide Traditional Name: (Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-(3-ketodecyl)cyclopentyl]-N-[2-(2-nitroethylthio)ethyl]hept-5-enamide Formula: C26H46N2O6S MolecularWeight: 514.71824

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)CCC1C(CC(C1CC=CCCCC(=O)NCCSCC[N+](=O)[O-])O)O

Isomeric SMILES

CCCCCCCC(=O)CC[C@H]1[C@@H](C[C@@H]([C@@H]1C/C=C\CCCC(=O)NCCSCC[N+](=O)[O-])O)O

InChI

InChI=1S/C26H46N2O6S/c1-2-3-4-5-8-11-21(29)14-15-23-22(24(30)20-25(23)31)12-9-6-7-10-13-26(32)27-16-18-35-19-17-28(33)34/h6,9,22-25,30-31H,2-5,7-8,10-20H2,1H3,(H,27,32)/b9-6-/t22-,23-,24+,25-/m1/s1