(2R,3R)-4-amino-N-[(1R,2S,3R,4R,5S)-5-amino-4-[(2,6-diamino-2,3,4,6-tetradeoxy-alpha-D-erythro-hexopyranosyl)oxy]-3-{[3-O-(2,6-diamino-2,3,4,6-tetradeoxy-beta-L-threo-hexopyranosyl)-beta-D-ribofuranosyl]oxy}-2-hydroxycyclohexyl]-3-fluoro-2-hydroxybut (Q27465385)

SCHEMBL13456713 (English)

19 October 2016

chemical formula

C₂₇H₅₂FN₇O₁₁

1 reference

SCHEMBL13456713 (English)

19 October 2016

canonical SMILES

C1CC(C(OC1CN)OC2C(CC(C(C2OC3C(C(C(O3)CO)OC4C(CCC(O4)CN)N)O)O)NC(=O)C(C(CN)F)O)N)N

1 reference

SCHEMBL13456713 (English)

19 October 2016

isomeric SMILES

C1C[C@H]([C@H](O[C@@H]1CN)O[C@@H]2[C@H](C[C@H]([C@@H]([C@H]2O[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O[C@@H]4[C@@H](CC[C@@H](O4)CN)N)O)O)NC(=O)[C@H]([C@@H](CN)F)O)N)N

1 reference

SCHEMBL13456713 (English)

InChI=1S/C27H52FN7O11/c28-12(8-31)18(37)24(40)35-16-5-15(34)21(44-25-13(32)3-1-10(6-29)41-25)23(19(16)38)46-27-20(39)22(17(9-36)43-27)45-26-14(33)4-2-11(7-30)42-26/h10-23,25-27,36-39H,1-9,29-34H2,(H,35,40)/t10-,11+,12+,13+,14+,15-,16+,17+,18-,19-,20+,21+,22+,23+,25+,26+,27-/m0/s1

19 October 2016

Identifiers

InChI

1 reference

SCHEMBL13456713 (English)

XWTWBGQMVSXRIE-ZLDKHCKJSA-N

19 October 2016

InChIKey

1 reference

SCHEMBL13456713 (English)

19 October 2016

1 reference

(2R,3R)-4-Amino-N-[(1R,2S,3R,4R,5S)-5-amino-4-[(2,6-diamino-2,3,4,6-tetradeoxy-alpha-D-erythro-hexopyranosyl)oxy]-3-{[3-O-(2,6-diamino-2,3,4,6-tetradeoxy-beta-L-threo-hexopyranosyl)-beta-D-ribofuranos (English)

19 October 2016

1 reference