Try beta.chemspider
- 18 of 18 defined stereocentres
(1S,2S,18S,19S,22S,25S,28S,40R)-22-(2-Amino-2-oxoethyl)-48-{[2-O-(3-amino-2,3,6-trideoxy-3-methyl-alpha-D-lyxo-hexopyranosyl)-beta-D-glucopyranosyl]oxy}-5,15-dichloro-2,18,32,35,37-pentahydroxy-19-[(N -methyl-L-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),30,32,34,3 6,38,46,49-pentadecaene-40-carboxylic acid
CC(C)C[C@H](NC)C(=O)N[C@H]1[C@@H](O)C2=CC=C(OC3C=C4C=C(OC5=CC=C(C=C5Cl)[C@H](O)[C@@H]5NC(=O)[C@@H](NC(=O)[C@H]4NC(=O)[C@H](CC(N)=O)NC1=O)C1C=CC(O)=C(C=1)C1=C(C=C(O)C=C1O)[C@@H](NC5=O)C(O)=O)C=3O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O[C@@H]1C[C@@](C)(N)[C@@H](O)[C@@H](C)O1)C(Cl)=C2
InChI=1S/C66H75Cl2N9O24/c1-23(2)12-34(71-5)58(88)76-49-51(83)26-7-10-38(32(67)14-26)97-40-16-28-17-41(55(40)101-65-56(54(86)53(85)42(22-78)99-65)100-44-21-66(4,70)57(87)24(3)96-44)98-39-11-8-27(15-33(39)68)52(84)50-63(93)75-48(64(94)95)31-18-29(79)19-37(81)45(31)30-13-25(6-9-36(30)80)46(60(90)77-50)74-61(91)47(28)73-59(89)35(20-43(69)82)72-62(49)92/h6-11,13-19,23-24,34-35,42,44,46-54,56-57,65,71,78-81,83-87H,12,20-22,70H2,1-5H3,(H2,69,82)(H,72,92)(H,73,89)(H,74,91)(H,75,93)(H,76,88)(H,77,90)(H,94,95)/t24-,34+,35+,42-,44-,46+,47+,48-,49+,50+,51+,52+,53-,54+,56-,57+,65+,66-/m1/s1
MYPYJXKWCTUITO-FOOLTYIBSA-N
CSID:76818683, http://www.chemspider.com/Chemical-Structure.76818683.html (accessed 07:32, Apr 25, 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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