(E)-N-[(3aS,4R,5R,6S,7R,7aR)-4,6,7-tris(oxidanyl)-3a,4,5,6,7,7a-hexahydro-1,3-benzodioxol-5-yl]-3-[3-azanyl-4-[(2S,4S,5R)-5-[(E)-4-(3-fluoranyl-4-morpholin-4-yl-phenoxy)but-2-en-2-yl]-4-oxidanyl-oxolan-2-yl]oxy-phenyl]-2-methyl-prop-2-enamide

Systemtic Name: (E)-N-[(3aS,4R,5R,6S,7R,7aR)-4,6,7-tris(oxidanyl)-3a,4,5,6,7,7a-hexahydro-1,3-benzodioxol-5-yl]-3-[3-azanyl-4-[(2S,4S,5R)-5-[(E)-4-(3-fluoranyl-4-morpholin-4-yl-phenoxy)but-2-en-2-yl]-4-oxidanyl-oxolan-2-yl]oxy-phenyl]-2-methyl-prop-2-enamide Openeye Name: (E)-N-[(3aS,4R,5R,6S,7R,7aR)-4,6,7-trihydroxy-3a,4,5,6,7,7a-hexahydro-1,3-benzodioxol-5-yl]-3-[3-amino-4-[(2S,4S,5R)-5-[(E)-3-(3-fluoro-4-morpholino-phenoxy)-1-methyl-prop-1-enyl]-4-hydroxy-tetrahydrofuran-2-yl]oxy-phenyl]-2-methyl-prop-2-enamide CAS Name: (E)-N-[(3aS,4R,5R,6S,7R,7aR)-4,6,7-trihydroxy-3a,4,5,6,7,7a-hexahydro-1,3-benzodioxol-5-yl]-3-[3-amino-4-[[(2S,4S,5R)-5-[(E)-4-[3-fluoro-4-(4-morpholinyl)phenoxy]but-2-en-2-yl]-4-hydroxy-2-oxolanyl]oxy]phenyl]-2-methyl-2-propenamide IUPAC Name: (E)-N-[(3aS,4R,5R,6S,7R,7aR)-4,6,7-trihydroxy-3a,4,5,6,7,7a-hexahydro-1,3-benzodioxol-5-yl]-3-[3-amino-4-[(2S,4S,5R)-5-[(E)-4-(3-fluoro-4-morpholin-4-ylphenoxy)but-2-en-2-yl]-4-hydroxyoxolan-2-yl]oxyphenyl]-2-methylprop-2-enamide Traditional Name: (E)-N-[(3aS,4R,5R,6S,7R,7aR)-4,6,7-trihydroxy-3a,4,5,6,7,7a-hexahydro-1,3-benzodioxol-5-yl]-3-[3-amino-4-[(2S,4S,5R)-5-[(E)-3-(3-fluoro-4-morpholino-phenoxy)-1-methyl-prop-1-enyl]-4-hydroxy-tetrahydrofuran-2-yl]oxy-phenyl]-2-methyl-acrylamide Formula: C35H44FN3O11 MolecularWeight: 701.735763

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=CCOC1=CC(=C(C=C1)N2CCOCC2)F)C3C(CC(O3)OC4=C(C=C(C=C4)C=C(C)C(=O)NC5C(C(C6C(C5O)OCO6)O)O)N)O

Isomeric SMILES

C/C(=C\COC1=CC(=C(C=C1)N2CCOCC2)F)/[C@@H]3[C@H](C[C@@H](O3)OC4=C(C=C(C=C4)/C=C(\C)/C(=O)N[C@@H]5[C@@H]([C@H]([C@@H]6[C@H]([C@@H]5O)OCO6)O)O)N)O

InChI

InChI=1S/C35H44FN3O11/c1-18(7-10-46-21-4-5-24(22(36)15-21)39-8-11-45-12-9-39)32-25(40)16-27(50-32)49-26-6-3-20(14-23(26)37)13-19(2)35(44)38-28-29(41)31(43)34-33(30(28)42)47-17-48-34/h3-7,13-15,25,27-34,40-43H,8-12,16-17,37H2,1-2H3,(H,38,44)/b18-7+,19-13+/t25-,27+,28+,29-,30+,31+,32+,33-,34+/m0/s1