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-18,32,35,37-tetrahydroxy-19-[(N-methyl-D-leucyl)amino]-20,23,2 6,42,44-pentaoxo-48-[(2-O-{2,3,6-trideoxy-3-[(4-isopropylbenzyl)amino]-3-methyl-alpha-L-lyxo-hexopyranosyl}-beta-D-glucopyranosyl)oxy]-7,13-dioxa-21,24,27,41,43-pentaazaoctacyclo[26.14.2.2~3,6~.2~14,1 7~.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)NCc8ccc(cc8)C(C)C)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/C83H100Cl2N10O26/c1-33(2)20-48(88-9)74(106)94-64-66(101)40-15-18-52(46(84)22-40)116-54-24-42-25-55(70(54)121-81-71(68(103)67(102)56(32-96)118-81)120-59-30-83(8,73(105)36(6)115-59)89-31-37-10-12-38(13-11-37)34(3)4)117-53-19-16-41(23-47(53)85)69(119-58-29-82(7,87)72(104)35(5)114-58)65-79(111)93-63(80(112)113)45-26-43(97)27-51(99)60(45)44-21-39(14-17-50(44)98)61(76(108)95-65)92-77(109)62(42)91-75(107)49(28-57(86)100)90-78(64)110/h10-19,21-27,33-36,48-49,56,58-59,61-69,71-73,81,88-89,96-99,101-105H,20,28-32,87H2,1-9H3,(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
DJNQVKKHZMRORN-WAQWWVMASA-N
CSID:28499305, http://www.chemspider.com/Chemical-Structure.28499305.html (accessed 22:54, 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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