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-beta-L-arabino-hexopyranosyl)oxy]-5,15-dichloro-18,32,35,37-tetrahydroxy-19-[(N-methyl-D-leucyl)amino]-20,23 ,26,42,44-pentaoxo-48-[(2-O-{2,3,6-trideoxy-3-methyl-3-[(4-phenoxybenzyl)amino]-alpha-L-arabino-hexopyranosyl}-beta-D-glucopyranosyl)oxy]-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)Oc9ccccc9)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/C86H98Cl2N10O27/c1-36(2)23-51(91-7)77(109)97-67-69(104)41-16-21-55(49(87)25-41)120-57-27-43-28-58(73(57)125-84-74(71(106)70(105)59(35-99)122-84)124-62-33-86(6,76(108)38(4)118-62)92-34-39-13-18-46(19-14-39)119-45-11-9-8-10-12-45)121-56-22-17-42(26-50(56)88)72(123-61-32-85(5,90)75(107)37(3)117-61)68-82(114)96-66(83(115)116)48-29-44(100)30-54(102)63(48)47-24-40(15-20-53(47)101)64(79(111)98-68)95-80(112)65(43)94-78(110)52(31-60(89)103)93-81(67)113/h8-22,24-30,36-38,51-52,59,61-62,64-72,74-76,84,91-92,99-102,104-108H,23,31-35,90H2,1-7H3,(H2,89,103)(H,93,113)(H,94,110)(H,95,112)(H,96,114)(H,97,109)(H,98,111)(H,115,116)/t37-,38-,51+,52-,59+,61+,62-,64+,65+,66-,67+,68-,69+,70+,71-,72+,74+,75-,76-,84-,85-,86-/m0/s1
VRCNPQGHHTYKDI-SZZMWFQHSA-N
CSID:17298784, http://www.chemspider.com/Chemical-Structure.17298784.html (accessed 22:17, 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
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