Try beta.chemspider
- 22 of 22 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-arabino-hexopyranosyl)oxy]-48-[(2-O-{3-[(4-benzylbenzyl)amino]-2,3,6-trideoxy-3-methyl-alpha-L-arabi no-hexopyranosyl}-beta-D-glucopyranosyl)oxy]-5,15-dichloro-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~.2~1 4,17~.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)NCc8ccc(cc8)Cc9ccccc9)Oc1ccc(cc1Cl)[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/C87H100Cl2N10O26/c1-37(2)23-52(92-7)78(110)98-68-70(105)44-18-21-56(50(88)26-44)120-58-28-46-29-59(74(58)125-85-75(72(107)71(106)60(36-100)122-85)124-63-34-87(6,77(109)39(4)119-63)93-35-42-15-13-41(14-16-42)24-40-11-9-8-10-12-40)121-57-22-19-45(27-51(57)89)73(123-62-33-86(5,91)76(108)38(3)118-62)69-83(115)97-67(84(116)117)49-30-47(101)31-55(103)64(49)48-25-43(17-20-54(48)102)65(80(112)99-69)96-81(113)66(46)95-79(111)53(32-61(90)104)94-82(68)114/h8-22,25-31,37-39,52-53,60,62-63,65-73,75-77,85,92-93,100-103,105-109H,23-24,32-36,91H2,1-7H3,(H2,90,104)(H,94,114)(H,95,111)(H,96,113)(H,97,115)(H,98,110)(H,99,112)(H,116,117)/t38-,39-,52+,53-,60+,62-,63-,65+,66+,67-,68+,69-,70+,71+,72-,73+,75+,76-,77-,85-,86-,87-/m0/s1
NZNMNOIRATXZQY-FZDKKPCPSA-N
CSID:17304777, http://www.chemspider.com/Chemical-Structure.17304777.html (accessed 22:45, 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
Advertisement
Spotlight