(E)-N-[(E,3R)-1-[(2S,3R,4S,5R,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3-oxidanyl-octadec-4-en-2-yl]-10-pyren-1-yl-dec-9-enamide

Systemtic Name: (E)-N-[(E,3R)-1-[(2S,3R,4S,5R,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3-oxidanyl-octadec-4-en-2-yl]-10-pyren-1-yl-dec-9-enamide Openeye Name: (E)-N-[(E,2R)-2-hydroxy-1-[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxymethyl]heptadec-3-enyl]-10-pyren-1-yl-dec-9-enamide CAS Name: (E)-N-[(E,3R)-3-hydroxy-1-[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]octadec-4-en-2-yl]-10-(1-pyrenyl)-9-decenamide IUPAC Name: (E)-N-[(E,3R)-3-hydroxy-1-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoctadec-4-en-2-yl]-10-pyren-1-yldec-9-enamide Traditional Name: (E)-N-[(E,2R)-2-hydroxy-1-[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxymethyl]heptadec-3-enyl]-10-pyren-1-yl-dec-9-enamide Formula: C50H71NO8 MolecularWeight: 814.10064

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC=CC(C(COC1C(C(C(C(O1)CO)O)O)O)NC(=O)CCCCCCCC=CC2=C3C=CC4=CC=CC5=C4C3=C(C=C5)C=C2)O

Isomeric SMILES

CCCCCCCCCCCCC/C=C/[C@H](C(CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)NC(=O)CCCCCCC/C=C/C2=C3C=CC4=CC=CC5=C4C3=C(C=C5)C=C2)O

InChI

InChI=1S/C50H71NO8/c1-2-3-4-5-6-7-8-9-10-11-14-17-20-26-42(53)41(35-58-50-49(57)48(56)47(55)43(34-52)59-50)51-44(54)27-21-18-15-12-13-16-19-23-36-28-29-39-31-30-37-24-22-25-38-32-33-40(36)46(39)45(37)38/h19-20,22-26,28-33,41-43,47-50,52-53,55-57H,2-18,21,27,34-35H2,1H3,(H,51,54)/b23-19+,26-20+/t41?,42-,43-,47+,48+,49-,50+/m1/s1