N-[(E)-3-[(2R,3S,4R,5R)-3,4-dihydroxy-5-[6-(2-hydroxyethylamino)purin-9-yl]oxolan-2-yl]prop-2-enyl]-5-(4-fluorophenyl)-2,3-dihydroxy-benzamide (Q27456627)

N-[(E)-3-[(2r,3s,4r,5r)-3,4-Dihydroxy-5-[6-(2-Hydroxyethylamino)purin-9-Yl]oxolan-2-Yl]prop-2-Enyl]-5-(4-Fluorophenyl)-2,3-Dihydroxy-Benzamide (English)

19 October 2016

chemical formula

C₂₇H₂₇FN₆O₇

1 reference

N-[(E)-3-[(2r,3s,4r,5r)-3,4-Dihydroxy-5-[6-(2-Hydroxyethylamino)purin-9-Yl]oxolan-2-Yl]prop-2-Enyl]-5-(4-Fluorophenyl)-2,3-Dihydroxy-Benzamide (English)

19 October 2016

canonical SMILES

C1=CC(=CC=C1C2=CC(=C(C(=C2)O)O)C(=O)NCC=CC3C(C(C(O3)N4C=NC5=C4N=CN=C5NCCO)O)O)F

1 reference

N-[(E)-3-[(2r,3s,4r,5r)-3,4-Dihydroxy-5-[6-(2-Hydroxyethylamino)purin-9-Yl]oxolan-2-Yl]prop-2-Enyl]-5-(4-Fluorophenyl)-2,3-Dihydroxy-Benzamide (English)

19 October 2016

isomeric SMILES

C1=CC(=CC=C1C2=CC(=C(C(=C2)O)O)C(=O)NC/C=C/[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=NC5=C4N=CN=C5NCCO)O)O)F

1 reference

N-[(E)-3-[(2r,3s,4r,5r)-3,4-Dihydroxy-5-[6-(2-Hydroxyethylamino)purin-9-Yl]oxolan-2-Yl]prop-2-Enyl]-5-(4-Fluorophenyl)-2,3-Dihydroxy-Benzamide (English)

InChI=1S/C27H27FN6O7/c28-16-5-3-14(4-6-16)15-10-17(21(37)18(36)11-15)26(40)30-7-1-2-19-22(38)23(39)27(41-19)34-13-33-20-24(29-8-9-35)31-12-32-25(20)34/h1-6,10-13,19,22-23,27,35-39H,7-9H2,(H,30,40)(H,29,31,32)/b2-1+/t19-,22-,23-,27-/m1/s1

19 October 2016

Identifiers

InChI

1 reference

N-[(E)-3-[(2r,3s,4r,5r)-3,4-Dihydroxy-5-[6-(2-Hydroxyethylamino)purin-9-Yl]oxolan-2-Yl]prop-2-Enyl]-5-(4-Fluorophenyl)-2,3-Dihydroxy-Benzamide (English)

HBNVZKRROMJMCF-RBUFWCAOSA-N

19 October 2016

InChIKey

1 reference

N-[(E)-3-[(2r,3s,4r,5r)-3,4-Dihydroxy-5-[6-(2-Hydroxyethylamino)purin-9-Yl]oxolan-2-Yl]prop-2-Enyl]-5-(4-Fluorophenyl)-2,3-Dihydroxy-Benzamide (English)

19 October 2016

1 reference

N-{(2E)-3-[(2R,3S,4R,5R)-3,4-Dihydroxy-5-{6-[(2-hydroxyethyl)amino]-9H-purin-9-yl}tetrahydro-2-furanyl]-2-propen-1-yl}-4'-fluoro-4,5-dihydroxy-3-biphenylcarboxamide (English)

19 October 2016

1 reference