Try beta.chemspider
- 5 of 10 defined stereocentres
(3beta,8xi,9xi,14xi)-3-[(N,N-Bis{2-[bis(carboxymethyl)amino]ethyl}-D-gamma-glutamyl)amino]cholan-24-oic acid
O=C(O)CN(CC(=O)O)CCN(CCN(CC(=O)O)CC(=O)O)[C@@H](C(=O)O)CCC(=O)N[C@@H]3CC2CCC1C4[C@@](CCC1[C@@]2(C)CC3)(C)[C@@H](C(C)CCC(=O)O)CC4
InChI=1S/C41H66N4O13/c1-25(4-11-34(47)48)29-7-8-30-28-6-5-26-20-27(12-14-40(26,2)31(28)13-15-41(29,30)3)42-33(46)10-9-32(39(57)58)45(18-16-43(21-35(49)50)22-36(51)52)19-17-44(23-37(53)54)24-38(55)56/h25-32H,4-24H2,1-3H3,(H,42,46)(H,47,48)(H,49,50)(H,51,52)(H,53,54)(H,55,56)(H,57,58)/t25?,26?,27-,28?,29+,30?,31?,32+,40-,41+/m0/s1
PXQUJGKQZDJTFX-YITSZRKKSA-N
CSID:7987551, http://www.chemspider.com/Chemical-Structure.7987551.html (accessed 15:08, May 8, 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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