Try beta.chemspider
- 5 of 5 defined stereocentres
(4S,5R,6R,7R,8R)-5-Acetamido-9-{[(3',6'-dihydroxy-3-oxo-3H-spiro[2-benzofuran-1,9'-xanthen]-5-yl)carbamothioyl]amino}-4,6,7,8-tetrahydroxy-2-oxononanoic acid
CC(=O)N[C@H]([C@H](CC(=O)C(=O)O)O)[C@H]([C@@H]([C@@H](CNC(=S)Nc1ccc2c(c1)C(=O)OC23c4ccc(cc4Oc5c3ccc(c5)O)O)O)O)O
InChI=1S/C32H31N3O13S/c1-13(36)34-26(21(39)11-22(40)29(44)45)28(43)27(42)23(41)12-33-31(49)35-14-2-5-18-17(8-14)30(46)48-32(18)19-6-3-15(37)9-24(19)47-25-10-16(38)4-7-20(25)32/h2-10,21,23,26-28,37-39,41-43H,11-12H2,1H3,(H,34,36)(H,44,45)(H2,33,35,49)/t21-,23+,26+,27+,28+/m0/s1
GDIQTXRCPOSDOR-VXFCOHMTSA-N
CSID:2301463, http://www.chemspider.com/Chemical-Structure.2301463.html (accessed 09:56, May 11, 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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