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-propylbenzyl)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
CCCc1ccc(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/C83H100Cl2N10O26/c1-9-10-37-11-13-38(14-12-37)32-89-83(7)31-59(115-36(5)73(83)105)120-71-68(103)67(102)56(33-96)118-81(71)121-70-54-25-42-26-55(70)117-53-20-17-41(24-47(53)85)69(119-58-30-82(6,87)72(104)35(4)114-58)65-79(111)93-63(80(112)113)45-27-43(97)28-51(99)60(45)44-22-39(15-18-50(44)98)61(76(108)95-65)92-77(109)62(42)91-75(107)49(29-57(86)100)90-78(110)64(94-74(106)48(88-8)21-34(2)3)66(101)40-16-19-52(116-54)46(84)23-40/h11-20,22-28,34-36,48-49,56,58-59,61-69,71-73,81,88-89,96-99,101-105H,9-10,21,29-33,87H2,1-8H3,(H2,86,100)(H,90,110)(H,91,107)(H,92,109)(H,93,111)(H,94,106)(H,95,108)(H,112,113)/t35-,36-,48+,49-,56+,58-,59-,61+,62+,63-,64+,65-,66+,67+,68-,69+,71+,72-,73-,81-,82-,83-/m0/s1
YNJQRMMUBZVJMG-BWQGBJRCSA-N
CSID:17301882, http://www.chemspider.com/Chemical-Structure.17301882.html (accessed 21:19, Jun 29, 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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