Try beta.chemspider
- 22 of 22 defined stereocentres
(1S,2R,18R,19R,22S,25R,28R,40S)-22-(2-Amino-2-oxoethyl)-48-{[2-O-(3-amino-2,3,6-trideoxy-3-methyl-alpha-L-arabino-hexopyranosyl)-beta-D-glucopyranosyl]oxy}-2-[(3-amino-2,3,6-trideoxy-3-methyl-alpha-L- arabino-hexopyranosyl)oxy]-5,15-dichloro-19-{[N-(4-chlorobenzyl)-N-methyl-D-leucyl]amino}-18,32,35,37-tetrahydroxy-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)N)Oc8ccc(cc8Cl)[C@H]([C@H](C(=O)N[C@H](C(=O)N[C@H]5C(=O)N[C@@H]9c1ccc(c(c1)-c1c(cc(cc1O)O)[C@H](NC(=O)[C@H]2NC9=O)C(=O)O)O)CC(=O)N)NC(=O)[C@@H](CC(C)C)N(C)Cc1ccc(cc1)Cl)O)(C)N)O
InChI=1S/C80H93Cl3N10O26/c1-31(2)18-46(93(7)29-34-8-13-39(81)14-9-34)72(105)91-61-63(99)36-11-16-49(43(82)20-36)114-51-22-38-23-52(67(51)119-78-68(65(101)64(100)53(30-94)116-78)118-56-28-80(6,86)70(103)33(4)113-56)115-50-17-12-37(21-44(50)83)66(117-55-27-79(5,85)69(102)32(3)112-55)62-76(109)90-60(77(110)111)42-24-40(95)25-48(97)57(42)41-19-35(10-15-47(41)96)58(73(106)92-62)89-74(107)59(38)88-71(104)45(26-54(84)98)87-75(61)108/h8-17,19-25,31-33,45-46,53,55-56,58-66,68-70,78,94-97,99-103H,18,26-30,85-86H2,1-7H3,(H2,84,98)(H,87,108)(H,88,104)(H,89,107)(H,90,109)(H,91,105)(H,92,106)(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
DLWMGYIMYYMIQW-ZJIGUYQVSA-N
CSID:17301021, http://www.chemspider.com/Chemical-Structure.17301021.html (accessed 22:56, 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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