Try beta.chemspider
- 22 of 22 defined stereocentres
(1S,2R,18R,19R,22S,25R,28R,40R)-22-(2-Amino-2-oxoethyl)-2-[(3-amino-2,3,6-trideoxy-3-methyl-alpha-L-lyxo-hexopyranosyl)oxy]-5,15-dichloro-48-[(2-O-{3-[(2-chlorobenzyl)amino]-2,3,6-trideoxy-3-methyl-al pha-L-lyxo-hexopyranosyl}-beta-D-glucopyranosyl)oxy]-18,32,35,37-tetrahydroxy-19-[(N-methyl-D-leucyl)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-carboxylic acid
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[C@H]7C[C@]([C@@H]([C@@H](O7)C)O)(C)NCc8ccccc8Cl)Oc9ccc(cc9Cl)[C@H]([C@H](C(=O)N[C@H](C(=O)N[C@H]5C(=O)N[C@@H]1c3ccc(c(c3)-c3c(cc(cc3O)O)[C@@H](NC(=O)[C@H]2NC1=O)C(=O)O)O)CC(=O)N)NC(=O)[C@@H](CC(C)C)NC)O)(C)N)O
InChI=1S/C80H93Cl3N10O26/c1-31(2)18-45(86-7)71(104)92-61-63(99)35-13-16-49(43(82)20-35)114-51-22-38-23-52(67(51)119-78-68(65(101)64(100)53(30-94)116-78)118-56-28-80(6,70(103)33(4)113-56)87-29-37-10-8-9-11-42(37)81)115-50-17-14-36(21-44(50)83)66(117-55-27-79(5,85)69(102)32(3)112-55)62-76(109)91-60(77(110)111)41-24-39(95)25-48(97)57(41)40-19-34(12-15-47(40)96)58(73(106)93-62)90-74(107)59(38)89-72(105)46(26-54(84)98)88-75(61)108/h8-17,19-25,31-33,45-46,53,55-56,58-66,68-70,78,86-87,94-97,99-103H,18,26-30,85H2,1-7H3,(H2,84,98)(H,88,108)(H,89,105)(H,90,107)(H,91,109)(H,92,104)(H,93,106)(H,110,111)/t32-,33-,45+,46-,53+,55-,56-,58+,59+,60+,61+,62-,63+,64+,65-,66+,68+,69+,70+,78-,79-,80-/m0/s1
STTWTRUGKNCCSM-GDUMQMLCSA-N
CSID:28485701, http://www.chemspider.com/Chemical-Structure.28485701.html (accessed 22:47, 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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