Try beta.chemspider
- 18 of 18 defined stereocentres
(1S,2R,18R,19R,22S,25R,28R,40S)-22-(2-Amino-2-oxoethyl)-2-[(3-amino-2,3,6-trideoxy-3-methyl-alpha-L-lyxo-hexopyranosyl)oxy]-5,15-dichloro-48-(beta-D-glucopyranosyloxy)-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
O=C(O)[C@@H]7c%10cc(O)cc(O)c%10c1c(O)ccc(c1)[C@H]8NC(=O)[C@H]3c9cc(Oc2ccc(cc2Cl)[C@@H](O)[C@@H](NC(=O)[C@H](NC)CC(C)C)C(=O)N[C@H](C(=O)N3)CC(=O)N)c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c(Oc5ccc(cc5Cl)[C@@H](O[C@@H]6O[C@@H](C)[C@@H](O)[C@](N)(C)C6)[C@@H](C(=O)N7)NC8=O)c9
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(56(40)101-65-54(86)53(85)52(84)42(22-78)99-65)98-39-11-8-27(15-33(39)68)55(100-44-21-66(4,70)57(87)24(3)96-44)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/h6-11,13-19,23-24,34-35,42,44,46-55,57,65,71,78-81,83-87H,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+,55+,57+,65-,66-/m0/s1
ATHQCOUEZPBNLP-CKIHJOGGSA-N
CSID:8074321, http://www.chemspider.com/Chemical-Structure.8074321.html (accessed 04:40, Apr 26, 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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