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-methylbenzyl)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
Cc1ccc(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/C81H96Cl2N10O26/c1-32(2)19-46(86-8)72(104)92-62-64(99)38-14-17-50(44(82)21-38)114-52-23-40-24-53(68(52)119-79-69(66(101)65(100)54(31-94)116-79)118-57-29-81(7,71(103)35(5)113-57)87-30-36-11-9-33(3)10-12-36)115-51-18-15-39(22-45(51)83)67(117-56-28-80(6,85)70(102)34(4)112-56)63-77(109)91-61(78(110)111)43-25-41(95)26-49(97)58(43)42-20-37(13-16-48(42)96)59(74(106)93-63)90-75(107)60(40)89-73(105)47(27-55(84)98)88-76(62)108/h9-18,20-26,32,34-35,46-47,54,56-57,59-67,69-71,79,86-87,94-97,99-103H,19,27-31,85H2,1-8H3,(H2,84,98)(H,88,108)(H,89,105)(H,90,107)(H,91,109)(H,92,104)(H,93,106)(H,110,111)/t34-,35-,46+,47-,54+,56-,57-,59+,60+,61-,62+,63-,64+,65+,66-,67+,69+,70-,71-,79-,80-,81-/m0/s1
IBCAJPAXFQDNST-QSODYRGJSA-N
CSID:17301333, http://www.chemspider.com/Chemical-Structure.17301333.html (accessed 05:54, Jun 27, 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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