Try beta.chemspider
- 18 of 18 defined stereocentres
(1S,2R,18R,19R,22S,25R,28R,40S)-22-(2-Amino-2-oxoethyl)-5,15-dichloro-48-{[2-O-(3-{[(4'-chloro-4-biphenylyl)methyl]amino}-2,3,6-trideoxy-3-methyl-alpha-L-lyxo-hexopyranosyl)-6-S-(5-hydrazino-4-methyl- 4H-1,2,4-triazol-3-yl)-6-thio-beta-D-glucopyranosyl]oxy}-2,18,32,35,37-pentahydroxy-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]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](CC(C)C)NC)O)CSc1nnc(n1C)NN)O)O)(C)NCc1ccc(cc1)c1ccc(cc1)Cl)O
InChI=1S/C82H89Cl3N14O23S/c1-33(2)21-48(88-5)72(109)94-63-65(104)39-14-19-52(46(84)23-39)118-54-25-41-26-55(69(54)122-79-70(68(107)67(106)56(120-79)32-123-81-98-97-80(96-87)99(81)6)121-58-30-82(4,71(108)34(3)117-58)89-31-35-7-9-36(10-8-35)37-11-16-42(83)17-12-37)119-53-20-15-40(24-47(53)85)66(105)64-77(114)93-62(78(115)116)45-27-43(100)28-51(102)59(45)44-22-38(13-18-50(44)101)60(74(111)95-64)92-75(112)61(41)91-73(110)49(29-57(86)103)90-76(63)113/h7-20,22-28,33-34,48-49,56,58,60-68,70-71,79,88-89,100-102,104-108H,21,29-32,87H2,1-6H3,(H2,86,103)(H,90,113)(H,91,110)(H,92,112)(H,93,114)(H,94,109)(H,95,111)(H,96,97)(H,115,116)/t34-,48+,49-,56+,58-,60+,61+,62-,63+,64-,65+,66+,67+,68-,70+,71+,79-,82-/m0/s1
QVQPRUYACOYWHA-NOABVQCFSA-N
CSID:17326406, http://www.chemspider.com/Chemical-Structure.17326406.html (accessed 20:52, Jun 29, 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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