- 10 of 11 defined stereocentres
(1R,4S,8R,10S,13S,16S,34S)-34-[(2S)-2-Butanyl]-4-(carboxymethyl)-13-[(2R,3R)-3,4-dihydroxy-2-butanyl]-8,22-dihydroxy-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](CO)O)[O-]
InChI=1S/C39H53N9O15S/c1-4-16(2)31-36(60)41-11-28(53)42-25-15-64(63)38-21(20-6-5-18(50)7-22(20)45-38)9-23(33(57)40-12-29(54)46-31)43-37(61)32(17(3)27(52)14-49)47-35(59)26-8-19(51)13-48(26)39(62)24(10-30(55)56)44-34(25)58/h5-7,16-17,19,23-27,31-32,45,49-52H,4,8-15H2,1-3H3,(H,40,57)(H,41,60)(H,42,53)(H,43,61)(H,44,58)(H,46,54)(H,47,59)(H,55,56)/t16-,17-,19+,23-,24-,25-,26-,27-,31-,32-,64?/m0/s1
IEQCUEXVAPAFMQ-JAXJKTSHSA-N
CSID:26234939, http://www.chemspider.com/Chemical-Structure.26234939.html (accessed 23:32, Dec 4, 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
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