(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-[4-[(2S,3R,4S,5R)-3-azanyl-5-[(E)-N-[[3,4-bis(fluoranyl)phenyl]methoxy]-C-methyl-carbonimidoyl]-4-oxidanyl-oxolan-2-yl]oxy-3-oxidanyl-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-[4-[(2S,3R,4S,5R)-3-azanyl-5-[(E)-N-[[3,4-bis(fluoranyl)phenyl]methoxy]-C-methyl-carbonimidoyl]-4-oxidanyl-oxolan-2-yl]oxy-3-oxidanyl-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-[4-[(2S,3R,4S,5R)-3-amino-5-[(E)-N-[(3,4-difluorophenyl)methoxy]-C-methyl-carbonimidoyl]-4-hydroxy-tetrahydrofuran-2-yl]oxy-3-hydroxy-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-[4-[[(2S,3R,4S,5R)-3-amino-5-[(1E)-1-[(3,4-difluorophenyl)methoxyimino]ethyl]-4-hydroxy-2-oxolanyl]oxy]-3-hydroxyphenyl]-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-[4-[(2S,3R,4S,5R)-3-amino-5-[(E)-N-[(3,4-difluorophenyl)methoxy]-C-methylcarbonimidoyl]-4-hydroxyoxolan-2-yl]oxy-3-hydroxyphenyl]-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-[4-[(2S,3R,4S,5R)-3-amino-5-[(E)-N-(3,4-difluorobenzyl)oxy-C-methyl-carbonimidoyl]-4-hydroxy-tetrahydrofuran-2-yl]oxy-3-hydroxy-phenyl]-2-methyl-acrylamide Formula: C30H35F2N3O11 MolecularWeight: 651.609206

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC1=CC(=C(C=C1)OC2C(C(C(O2)C(=NOCC3=CC(=C(C=C3)F)F)C)O)N)O)C(=O)NC4C(C(C5C(C4O)OCO5)O)O

Isomeric SMILES

C/C(=C\C1=CC(=C(C=C1)O[C@H]2[C@@H]([C@@H]([C@H](O2)/C(=N/OCC3=CC(=C(C=C3)F)F)/C)O)N)O)/C(=O)N[C@@H]4[C@@H]([C@H]([C@@H]5[C@H]([C@@H]4O)OCO5)O)O

InChI

InChI=1S/C30H35F2N3O11/c1-12(29(41)34-21-23(38)25(40)28-27(24(21)39)42-11-43-28)7-14-4-6-19(18(36)9-14)45-30-20(33)22(37)26(46-30)13(2)35-44-10-15-3-5-16(31)17(32)8-15/h3-9,20-28,30,36-40H,10-11,33H2,1-2H3,(H,34,41)/b12-7+,35-13+/t20-,21-,22+,23+,24-,25-,26-,27+,28-,30-/m1/s1