Try beta.chemspider
- 8 of 11 defined stereocentres
2-({(3alpha,5beta,7alpha,8xi,9xi,12alpha,14xi)-7-[(4-Azidobenzoyl)amino]-3,12-dihydroxy-24-oxocholan-24-yl}amino)ethanesulfonic acid
C[C@H](CCC(=O)NCCS(=O)(=O)O)[C@H]1CCC2[C@@]1([C@H](CC3C2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)NC(=O)c5ccc(cc5)N=[N+]=[N-])O)C
InChI=1S/C33H49N5O7S/c1-19(4-11-29(41)35-14-15-46(43,44)45)24-9-10-25-30-26(18-28(40)33(24,25)3)32(2)13-12-23(39)16-21(32)17-27(30)36-31(42)20-5-7-22(8-6-20)37-38-34/h5-8,19,21,23-28,30,39-40H,4,9-18H2,1-3H3,(H,35,41)(H,36,42)(H,43,44,45)/t19-,21+,23-,24-,25?,26?,27-,28+,30?,32+,33-/m1/s1
AKTCPEQKKNHWEG-GPSTVJBSSA-N
CSID:2300083, http://www.chemspider.com/Chemical-Structure.2300083.html (accessed 09:53, Apr 26, 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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