[(3R)-1-[[(E,2R,3R)-3-acetyloxy-1-ethanoylsulfanyl-15-methyl-hexadec-4-en-2-yl]amino]-15-methyl-1-oxidanylidene-hexadecan-3-yl] ethanoate

Systemtic Name: [(3R)-1-[[(E,2R,3R)-3-acetyloxy-1-ethanoylsulfanyl-15-methyl-hexadec-4-en-2-yl]amino]-15-methyl-1-oxidanylidene-hexadecan-3-yl] ethanoate Openeye Name: [(1R)-1-[2-[[(E,1R,2R)-2-acetoxy-1-(acetylsulfanylmethyl)-14-methyl-pentadec-3-enyl]amino]-2-oxo-ethyl]-13-methyl-tetradecyl] acetate CAS Name: acetic acid [(3R)-1-[[(E,2R,3R)-3-acetyloxy-1-(acetylthio)-15-methylhexadec-4-en-2-yl]amino]-15-methyl-1-oxohexadecan-3-yl] ester IUPAC Name: [(3R)-1-[[(E,2R,3R)-3-acetyloxy-1-acetylsulfanyl-15-methylhexadec-4-en-2-yl]amino]-15-methyl-1-oxohexadecan-3-yl] acetate Traditional Name: acetic acid [(1R)-1-[2-[[(E,1R,2R)-2-acetoxy-1-[(acetylthio)methyl]-14-methyl-pentadec-3-enyl]amino]-2-keto-ethyl]-13-methyl-tetradecyl] ester Formula: C40H73NO6S MolecularWeight: 696.07572

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCCCCCCCCCC(CC(=O)NC(CSC(=O)C)C(C=CCCCCCCCCCC(C)C)OC(=O)C)OC(=O)C

Isomeric SMILES

CC(C)CCCCCCCCCCC[C@H](CC(=O)N[C@@H](CSC(=O)C)[C@@H](/C=C/CCCCCCCCCC(C)C)OC(=O)C)OC(=O)C

InChI

InChI=1S/C40H73NO6S/c1-32(2)26-22-18-14-10-8-12-16-20-24-28-37(46-34(5)42)30-40(45)41-38(31-48-36(7)44)39(47-35(6)43)29-25-21-17-13-9-11-15-19-23-27-33(3)4/h25,29,32-33,37-39H,8-24,26-28,30-31H2,1-7H3,(H,41,45)/b29-25+/t37-,38+,39-/m1/s1