- 10 of 11 defined stereocentres
(1R,4S,8R,10S,13S,16S,34S)-34-[(2S)-2-Butanyl]-4-(carboxymethyl)-8,22-dihydroxy-13-[(2R,3S)-3-hydroxy-2-butanyl]-2,5,11,14,30,33,36,39-octaoxo-27-thionia-3,6,12,15,25,29,32,35,38-nonaazapentacyclo[14. 12.11.0~6,10~.0~18,26~.0~19,24~]nonatriaconta-18(26),19,21,23-tetraen-27-olate
CC[C@H](C)[C@H]1C(=O)NCC(=O)N[C@H]2C[S+](c3c(c4ccc(cc4[nH]3)O)C[C@@H](C(=O)NCC(=O)N1)NC(=O)[C@@H](NC(=O)[C@@H]5C[C@H](CN5C(=O)[C@@H](NC2=O)CC(=O)O)O)[C@@H](C)[C@H](C)O)[O-]
InChI=1S/C39H53N9O14S/c1-5-16(2)31-36(59)41-12-28(52)42-26-15-63(62)38-22(21-7-6-19(50)8-23(21)45-38)10-24(33(56)40-13-29(53)46-31)43-37(60)32(17(3)18(4)49)47-35(58)27-9-20(51)14-48(27)39(61)25(11-30(54)55)44-34(26)57/h6-8,16-18,20,24-27,31-32,45,49-51H,5,9-15H2,1-4H3,(H,40,56)(H,41,59)(H,42,52)(H,43,60)(H,44,57)(H,46,53)(H,47,58)(H,54,55)/t16-,17-,18-,20+,24-,25-,26-,27-,31-,32-,63?/m0/s1
OFILNAORONITPV-ZUROAWGWSA-N
CSID:26234941, http://www.chemspider.com/Chemical-Structure.26234941.html (accessed 09:58, Nov 28, 2023)
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