(3β,5β)-3-[(N,N-Bis{2-[bis(carboxymethyl)amino]ethyl}-L-γ-glutamyl)amino]cholan-24-oic acid

More details:

• Systematic name

  (3beta,5beta)-3-[(N,N-Bis{2-[bis(carboxymethyl)amino]ethyl}-L-gamma-glutamyl)amino]cholan-24-oic acid

• SMILES

  C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@@H](C4)NC(=O)CC[C@@H](C(=O)O)N(CCN(CC(=O)O)CC(=O)O)CCN(CC(=O)O)CC(=O)O)C)C

• Std. InChi

  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-/m1/s1

• Std. InChIKey

  PXQUJGKQZDJTFX-OJQSLKCRSA-N

• Cite this record

  CSID:19096594, http://www.chemspider.com/Chemical-Structure.19096594.html (accessed 13:07, Apr 19, 2024)