Try beta.chemspider
- 22 of 22 defined stereocentres
(1S,2R,18R,19R,22S,25R,28R,40S)-22-(2-Amino-2-oxoethyl)-2-[(3-amino-2,3,6-trideoxy-3-methyl-alpha-L-arabino-hexopyranosyl)oxy]-5,15-dichloro-18,32,35,37-tetrahydroxy-19-[(N-methyl-D-leucyl)amino]-20,2 3,26,42,44-pentaoxo-48-[(2-O-{2,3,6-trideoxy-3-methyl-3-[(4-pentylbenzyl)amino]-alpha-L-arabino-hexopyranosyl}-beta-D-glucopyranosyl)oxy]-7,13-dioxa-21,24,27,41,43-pentaazaoctacyclo[26.14.2.2~3,6~.2~1 4,17~.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
CCCCCc1ccc(cc1)CN[C@]2(C[C@@H](O[C@H]([C@@H]2O)C)O[C@@H]3[C@H]([C@@H]([C@H](O[C@H]3Oc4c5cc6cc4Oc7ccc(cc7Cl)[C@H]([C@H]8C(=O)N[C@@H](c9cc(cc(c9-c1cc(ccc1O)[C@H](C(=O)N8)NC(=O)[C@@H]6NC(=O)[C@@H](NC(=O)[C@@H]([C@@H](c1ccc(c(c1)Cl)O5)O)NC(=O)[C@@H](CC(C)C)NC)CC(=O)N)O)O)C(=O)O)O[C@H]1C[C@]([C@H]([C@@H](O1)C)O)(C)N)CO)O)O)C
InChI=1S/C85H104Cl2N10O26/c1-9-10-11-12-39-13-15-40(16-14-39)34-91-85(7)33-61(117-38(5)75(85)107)122-73-70(105)69(104)58(35-98)120-83(73)123-72-56-27-44-28-57(72)119-55-22-19-43(26-49(55)87)71(121-60-32-84(6,89)74(106)37(4)116-60)67-81(113)95-65(82(114)115)47-29-45(99)30-53(101)62(47)46-24-41(17-20-52(46)100)63(78(110)97-67)94-79(111)64(44)93-77(109)51(31-59(88)102)92-80(112)66(96-76(108)50(90-8)23-36(2)3)68(103)42-18-21-54(118-56)48(86)25-42/h13-22,24-30,36-38,50-51,58,60-61,63-71,73-75,83,90-91,98-101,103-107H,9-12,23,31-35,89H2,1-8H3,(H2,88,102)(H,92,112)(H,93,109)(H,94,111)(H,95,113)(H,96,108)(H,97,110)(H,114,115)/t37-,38-,50+,51-,58+,60-,61-,63+,64+,65-,66+,67-,68+,69+,70-,71+,73+,74-,75-,83-,84-,85-/m0/s1
KIZAZQOHRQCROP-HOUCDDGYSA-N
CSID:17302487, http://www.chemspider.com/Chemical-Structure.17302487.html (accessed 22:49, Jul 1, 2024)
Validated by Experts, Validated by Users, Non-Validated, Removed by Users
Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00
Click to predict properties on the Chemicalize site
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