[(E,2S,3R)-17-methyl-2-[[(2R)-13-methyl-2-[(2S)-3,3,3-tris(fluoranyl)-2-methoxy-2-phenyl-propanoyl]oxy-tetradecanoyl]amino]-3-[(2S)-3,3,3-tris(fluoranyl)-2-methoxy-2-phenyl-propanoyl]oxy-octadec-4-enyl] sulfate

Systemtic Name: [(E,2S,3R)-17-methyl-2-[[(2R)-13-methyl-2-[(2S)-3,3,3-tris(fluoranyl)-2-methoxy-2-phenyl-propanoyl]oxy-tetradecanoyl]amino]-3-[(2S)-3,3,3-tris(fluoranyl)-2-methoxy-2-phenyl-propanoyl]oxy-octadec-4-enyl] sulfate Openeye Name: [(E,2S,3R)-17-methyl-2-[[(2R)-13-methyl-2-[(2S)-3,3,3-trifluoro-2-methoxy-2-phenyl-propanoyl]oxy-tetradecanoyl]amino]-3-[(2S)-3,3,3-trifluoro-2-methoxy-2-phenyl-propanoyl]oxy-octadec-4-enyl] sulfate CAS Name: [(E,2S,3R)-17-methyl-2-[[(2R)-13-methyl-1-oxo-2-[(2S)-3,3,3-trifluoro-2-methoxy-1-oxo-2-phenylpropoxy]tetradecyl]amino]-3-[(2S)-3,3,3-trifluoro-2-methoxy-1-oxo-2-phenylpropoxy]octadec-4-enyl] sulfate IUPAC Name: [(E,2S,3R)-17-methyl-2-[[(2R)-13-methyl-2-[(2S)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl]oxytetradecanoyl]amino]-3-[(2S)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl]oxyoctadec-4-enyl] sulfate Traditional Name: [(E,2S,3R)-17-methyl-2-[[(2R)-13-methyl-2-[(2S)-3,3,3-trifluoro-2-methoxy-2-phenyl-propanoyl]oxy-tetradecanoyl]amino]-3-[(2S)-3,3,3-trifluoro-2-methoxy-2-phenyl-propanoyl]oxy-octadec-4-enyl] sulfate Formula: C54H80F6NO11S- MolecularWeight: 1065.268519

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCCCCCCCCCC=CC(C(COS(=O)(=O)[O-])NC(=O)C(CCCCCCCCCCC(C)C)OC(=O)C(C1=CC=CC=C1)(C(F)(F)F)OC)OC(=O)C(C2=CC=CC=C2)(C(F)(F)F)OC

Isomeric SMILES

CC(C)CCCCCCCCCCC/C=C/[C@H]([C@H](COS(=O)(=O)[O-])NC(=O)[C@@H](CCCCCCCCCCC(C)C)OC(=O)[C@@](C1=CC=CC=C1)(C(F)(F)F)OC)OC(=O)[C@@](C2=CC=CC=C2)(C(F)(F)F)OC

InChI

InChI=1S/C54H81F6NO11S/c1-41(2)32-24-18-14-10-8-7-9-11-16-20-30-38-46(71-49(63)51(68-5,53(55,56)57)43-34-26-22-27-35-43)45(40-70-73(65,66)67)61-48(62)47(39-31-21-17-13-12-15-19-25-33-42(3)4)72-50(64)52(69-6,54(58,59)60)44-36-28-23-29-37-44/h22-23,26-30,34-38,41-42,45-47H,7-21,24-25,31-33,39-40H2,1-6H3,(H,61,62)(H,65,66,67)/p-1/b38-30+/t45-,46+,47+,51-,52-/m0/s1