(1S,2R,18R,19R,22S,25R,28R,40S)-22-(2-Amino-2-oxoethyl)-2-[(3-ammonio-2,3,6-trideoxy-3-methyl-α-L-arabino-hexopyranosyl)oxy]-5,15-dichloro-48-(β-D-glucopyranosyloxy)-18,32,35,37-tetrahydroxy-19 -{[(2R)-4-methyl-2-(methylammonio)pentanoyl]amino}-20,23,26,42,44-pentaoxo-7,13-dioxa-21,24,27,41,43-pentaazaoctacyclo[26.14.2.2^3,6.2^14,17.1^8,12.1^29,33.0^10,25.0^34,39]pentaconta-3,5,8(48),9 ,11,14,16,29(45),30,32,34,36,38,46,49-pentad

More details:

• Systematic name

  (1S,2R,18R,19R,22S,25R,28R,40S)-22-(2-Amino-2-oxoethyl)-2-[(3-ammonio-2,3,6-trideoxy-3-methyl-alpha-L-arabino-hexopyranosyl)oxy]-5,15-dichloro-48-(beta-D-glucopyranosyloxy)-18,32,35,37-tetrahydroxy-19 -{[(2R)-4-methyl-2-(methylammonio)pentanoyl]amino}-20,23,26,42,44-pentaoxo-7,13-dioxa-21,24,27,41,43-pentaazaoctacyclo[26.14.2.2~3,6~.2~14,17~.1~8,12~.1~29,33~.0~10,25~.0~34,39~]pentaconta-3,5,8(48),9 ,11,14,16,29(45),30,32,34,36,38,46,49-pentadecaene-40-carboxylate

• SMILES

  C[C@H]1[C@@H]([C@@](C[C@@H](O1)O[C@@H]2c3ccc(c(c3)Cl)Oc4cc5cc(c4O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)Oc7ccc(cc7Cl)[C@H]([C@H](C(=O)N[C@H](C(=O)N[C@H]5C(=O)N[C@@H]8c9ccc(c(c9)-c1c(cc(cc1O)O)[C@H](NC(=O)[C@H]2NC8=O)C(=O)[O-])O)CC(=O)N)NC(=O)[C@@H](CC(C)C)[NH2+]C)O)(C)[NH3+])O

• Std. InChi

  InChI=1S/C66H75Cl2N9O24/c1-23(2)12-34(71-5)58(88)76-49-51(83)26-7-10-38(32(67)14-26)97-40-16-28-17-41(56(40)101-65-54(86)53(85)52(84)42(22-78)99-65)98-39-11-8-27(15-33(39)68)55(100-44-21-66(4,70)57(87)24(3)96-44)50-63(93)75-48(64(94)95)31-18-29(79)19-37(81)45(31)30-13-25(6-9-36(30)80)46(60(90)77-50)74-61(91)47(28)73-59(89)35(20-43(69)82)72-62(49)92/h6-11,13-19,23-24,34-35,42,44,46-55,57,65,71,78-81,83-87H,12,20-22,70H2,1-5H3,(H2,69,82)(H,72,92)(H,73,89)(H,74,91)(H,75,93)(H,76,88)(H,77,90)(H,94,95)/p+1/t24-,34+,35-,42+,44-,46+,47+,48-,49+,50-,51+,52+,53-,54+,55+,57-,65-,66-/m0/s1

• Std. InChIKey

  ATHQCOUEZPBNLP-JWYJDYCQSA-O

• Cite this record

  CSID:30785745, http://www.chemspider.com/Chemical-Structure.30785745.html (accessed 07:11, Apr 18, 2024)