[8-oxidanylidene-8-[(5-oxidanylidene-4H-[1,2]dithiolo[4,3-b]pyrrol-6-yl)amino]octyl] (E,4R)-3-methyl-4-[(2S,3R,4R,5S)-5-[(E,5S)-4-methyl-5-[(2R)-3,3,3-tris(fluoranyl)-2-methoxy-2-phenyl-propanoyl]oxy-hex-2-enyl]-3,4-bis(oxidanyl)oxan-2-yl]-4-oxidanyl-but-2-enoate

Systemtic Name: [8-oxidanylidene-8-[(5-oxidanylidene-4H-[1,2]dithiolo[4,3-b]pyrrol-6-yl)amino]octyl] (E,4R)-3-methyl-4-[(2S,3R,4R,5S)-5-[(E,5S)-4-methyl-5-[(2R)-3,3,3-tris(fluoranyl)-2-methoxy-2-phenyl-propanoyl]oxy-hex-2-enyl]-3,4-bis(oxidanyl)oxan-2-yl]-4-oxidanyl-but-2-enoate Openeye Name: [8-oxo-8-[(5-oxo-4H-dithiolo[4,3-b]pyrrol-6-yl)amino]octyl] (E,4R)-4-[(2S,3R,4R,5S)-3,4-dihydroxy-5-[(E,5S)-4-methyl-5-[(2R)-3,3,3-trifluoro-2-methoxy-2-phenyl-propanoyl]oxy-hex-2-enyl]tetrahydropyran-2-yl]-4-hydroxy-3-methyl-but-2-enoate CAS Name: (E,4R)-4-[(2S,3R,4R,5S)-3,4-dihydroxy-5-[(E,5S)-4-methyl-5-[(2R)-3,3,3-trifluoro-2-methoxy-1-oxo-2-phenylpropoxy]hex-2-enyl]-2-oxanyl]-4-hydroxy-3-methyl-2-butenoic acid [8-oxo-8-[(5-oxo-4H-dithiolo[4,3-b]pyrrol-6-yl)amino]octyl] ester IUPAC Name: [8-oxo-8-[(5-oxo-4H-dithiolo[4,3-b]pyrrol-6-yl)amino]octyl] (E,4R)-4-[(2S,3R,4R,5S)-3,4-dihydroxy-5-[(E,5S)-4-methyl-5-[(2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl]oxyhex-2-enyl]oxan-2-yl]-4-hydroxy-3-methylbut-2-enoate Traditional Name: (E,4R)-4-[(2S,3R,4R,5S)-3,4-dihydroxy-5-[(E,5S)-4-methyl-5-[(2R)-3,3,3-trifluoro-2-methoxy-2-phenyl-propanoyl]oxy-hex-2-enyl]tetrahydropyran-2-yl]-4-hydroxy-3-methyl-but-2-enoic acid [8-keto-8-[(5-keto-4H-dithiolo[4,3-b]pyrrol-6-yl)amino]octyl] ester Formula: C40H51F3N2O11S2 MolecularWeight: 856.96495

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Descriptors Computed from Structure

Canonical SMILES:

CC(C=CCC1COC(C(C1O)O)C(C(=CC(=O)OCCCCCCCC(=O)NC2=C3C(=CSS3)NC2=O)C)O)C(C)OC(=O)C(C4=CC=CC=C4)(C(F)(F)F)OC

Isomeric SMILES

C[C@@H](C(C)/C=C/C[C@H]1CO[C@H]([C@@H]([C@@H]1O)O)[C@@H](/C(=C/C(=O)OCCCCCCCC(=O)NC2=C3C(=CSS3)NC2=O)/C)O)OC(=O)[C@](C4=CC=CC=C4)(C(F)(F)F)OC

InChI

InChI=1S/C40H51F3N2O11S2/c1-23(25(3)56-38(52)39(53-4,40(41,42)43)27-16-9-8-10-17-27)14-13-15-26-21-55-35(34(50)33(26)49)32(48)24(2)20-30(47)54-19-12-7-5-6-11-18-29(46)45-31-36-28(22-57-58-36)44-37(31)51/h8-10,13-14,16-17,20,22-23,25-26,32-35,48-50H,5-7,11-12,15,18-19,21H2,1-4H3,(H,44,51)(H,45,46)/b14-13+,24-20+/t23?,25-,26-,32+,33+,34+,35-,39+/m0/s1