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-butoxybenzyl)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
CCCCOc1ccc(cc1)CN[C@]2(C[C@@H](O[C@H]([C@@H]2O)C)O[C@@H]3[C@H]([C@@H]([C@H](O[C@H]3Oc4c5cc6cc4Oc7ccc(cc7Cl)[C@H]([C@H]8C(=O)N[C@@H](c9cc(cc(c9-c1cc(ccc1O)[C@H](C(=O)N8)NC(=O)[C@@H]6NC(=O)[C@@H](NC(=O)[C@@H]([C@@H](c1ccc(c(c1)Cl)O5)O)NC(=O)[C@@H](CC(C)C)NC)CC(=O)N)O)O)C(=O)O)O[C@H]1C[C@]([C@H]([C@@H](O1)C)O)(C)N)CO)O)O)C
InChI=1S/C84H102Cl2N10O27/c1-9-10-21-115-44-16-11-38(12-17-44)33-90-84(7)32-60(117-37(5)74(84)106)122-72-69(104)68(103)57(34-97)120-82(72)123-71-55-26-42-27-56(71)119-54-20-15-41(25-48(54)86)70(121-59-31-83(6,88)73(105)36(4)116-59)66-80(112)94-64(81(113)114)46-28-43(98)29-52(100)61(46)45-23-39(13-18-51(45)99)62(77(109)96-66)93-78(110)63(42)92-76(108)50(30-58(87)101)91-79(111)65(95-75(107)49(89-8)22-35(2)3)67(102)40-14-19-53(118-55)47(85)24-40/h11-20,23-29,35-37,49-50,57,59-60,62-70,72-74,82,89-90,97-100,102-106H,9-10,21-22,30-34,88H2,1-8H3,(H2,87,101)(H,91,111)(H,92,108)(H,93,110)(H,94,112)(H,95,107)(H,96,109)(H,113,114)/t36-,37-,49+,50-,57+,59-,60-,62+,63+,64-,65+,66-,67+,68+,69-,70+,72+,73-,74-,82-,83-,84-/m0/s1
ZZZHGJFMTILFCR-UARABNDOSA-N
CSID:17303892, http://www.chemspider.com/Chemical-Structure.17303892.html (accessed 20:57, 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
No predicted properties have been calculated for this compound.
Click to predict properties on the Chemicalize site
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