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- 11 of 11 defined stereocentres
(1R,4S,8R,10S,13S,16S,34S)-4-(2-Amino-2-oxoethyl)-34-[(2S)-2-butanyl]-13-[(2R,3R)-3,4-dihydroxy-2-butanyl]-8-hydroxy-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(c4ccccc4[nH]3)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)N)O)[C@@H](C)[C@H](CO)O)[O-]
InChI=1S/C39H54N10O13S/c1-4-17(2)31-36(59)42-12-29(54)43-25-16-63(62)38-21(20-7-5-6-8-22(20)46-38)10-23(33(56)41-13-30(55)47-31)44-37(60)32(18(3)27(52)15-50)48-35(58)26-9-19(51)14-49(26)39(61)24(11-28(40)53)45-34(25)57/h5-8,17-19,23-27,31-32,46,50-52H,4,9-16H2,1-3H3,(H2,40,53)(H,41,56)(H,42,59)(H,43,54)(H,44,60)(H,45,57)(H,47,55)(H,48,58)/t17-,18-,19+,23-,24-,25-,26-,27-,31-,32-,63+/m0/s1
BOHCOUQZNDPURZ-ICNZIKDASA-N
CSID:52085563, http://www.chemspider.com/Chemical-Structure.52085563.html (accessed 04:19, Apr 27, 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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