Avoparcin b

More details:

• Systematic name

  (1S,18R,19R,22S,25R,28R,40R)-48-{[2-O-(3-Amino-2,3,6-trideoxy-alpha-L-ribo-hexopyranosyl)-beta-D-glucopyranosyl]oxy}-4-[(3-amino-2,3,6-trideoxy-alpha-L-ribo-hexopyranosyl)oxy]-49-chloro-22-(3-chloro-4 -hydroxyphenyl)-19-{[(2S)-2-{4-[(6-deoxy-alpha-L-mannopyranosyl)oxy]phenyl}-2-(methylamino)acetyl]amino}-32,35,37-trihydroxy-18-(alpha-L-mannopyranosyloxy)-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-carboxylic acid

• SMILES

  C[C@H]1[C@@H]([C@@H](C[C@@H](O1)Oc2cc3c(cc2C[C@H]4C(=O)N[C@H](c5cc(cc(c5-c6cc(ccc6O)[C@H](C(=O)N4)NC(=O)[C@H]7c8cc(c(c(c8)O3)O[C@H]9[C@@H]([C@H]([C@@H]([C@H](O9)CO)O)O)O[C@H]1C[C@H]([C@H]([C@@H](O1)C)O)N)Oc1ccc(cc1)[C@H]([C@H](C(=O)N[C@H](C(=O)N7)c1ccc(c(c1)Cl)O)NC(=O)[C@H](c1ccc(cc1)O[C@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)C)O)O)O)NC)O[C@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)CO)O)O)O)O)O)C(=O)O)Cl)N)O

• Std. InChi

  InChI=1S/C89H101Cl2N9O36/c1-30-67(107)46(92)25-58(125-30)131-52-27-53-45(91)19-37(52)20-48-80(117)99-65(86(123)124)43-23-39(103)24-51(106)60(43)42-17-35(9-15-49(42)104)62(82(119)95-48)96-84(121)64-38-21-54(78(55(22-38)130-53)136-89-79(74(114)71(111)57(29-102)133-89)134-59-26-47(93)68(108)31(2)126-59)128-40-13-7-34(8-14-40)77(135-88-76(116)73(113)70(110)56(28-101)132-88)66(85(122)97-63(83(120)98-64)36-10-16-50(105)44(90)18-36)100-81(118)61(94-4)33-5-11-41(12-6-33)129-87-75(115)72(112)69(109)32(3)127-87/h5-19,21-24,27,30-32,46-48,56-59,61-77,79,87-89,94,101-116H,20,25-26,28-29,92-93H2,1-4H3,(H,95,119)(H,96,121)(H,97,122)(H,98,120)(H,99,117)(H,100,118)(H,123,124)/t30-,31-,32-,46+,47+,48-,56-,57+,58-,59-,61-,62+,63-,64+,65+,66+,67-,68-,69-,70-,71+,72+,73+,74-,75+,76+,77+,79+,87-,88-,89-/m0/s1

• Std. InChIKey

  CASDGWYZIKZSQE-ZUWMJMDKSA-N

• Cite this record

  CSID:16736404, http://www.chemspider.com/Chemical-Structure.16736404.html (accessed 10:13, Apr 24, 2024)