- 18 of 18 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-lyxo-hexopyranosyl)-beta-D-glucopyranosyl]oxy}-5,15-dichloro-19-[(N,3-dimethyl-D-valyl)amino]- 2,18,32,35,37-pentahydroxy-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),30,32,3 4,36,38,46,49-pentadecaene-40-carboxylic acid
C[C@H]1[C@H]([C@@](C[C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2Oc3c4cc5cc3Oc6ccc(cc6Cl)[C@H]([C@H](C(=O)N[C@H](C(=O)N[C@H]5C(=O)N[C@@H]7c8ccc(c(c8)-c9c(cc(cc9O)O)[C@H](NC(=O)[C@H]([C@@H](c1ccc(c(c1)Cl)O4)O)NC7=O)C(=O)O)O)CC(=O)N)NC(=O)[C@@H](C(C)(C)C)NC)O)CO)O)O)(C)N)O
InChI=1S/C66H75Cl2N9O24/c1-23-56(87)66(5,70)21-42(96-23)100-54-52(86)51(85)40(22-78)99-64(54)101-53-38-16-27-17-39(53)98-37-12-9-26(15-32(37)68)50(84)48-61(92)75-46(63(94)95)30-18-28(79)19-35(81)43(30)29-13-24(7-10-34(29)80)44(58(89)76-48)74-59(90)45(27)73-57(88)33(20-41(69)82)72-60(91)47(77-62(93)55(71-6)65(2,3)4)49(83)25-8-11-36(97-38)31(67)14-25/h7-19,23,33,40,42,44-52,54-56,64,71,78-81,83-87H,20-22,70H2,1-6H3,(H2,69,82)(H,72,91)(H,73,88)(H,74,90)(H,75,92)(H,76,89)(H,77,93)(H,94,95)/t23-,33-,40+,42-,44+,45+,46-,47+,48-,49+,50+,51+,52-,54+,55-,56+,64-,66-/m0/s1
DTEZAQJVYNZXAT-ZHLXNXCZSA-N
CSID:68054312, http://www.chemspider.com/Chemical-Structure.68054312.html (accessed 03:44, Apr 20, 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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