- 1 of 1 defined stereocentres
- Non-standard isotope
N-{4-[2-(2-Amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl}-D-(~13~C_5_,~15~N)glutamic acid
C1=C(C=CC(=C1)C(=O)[15NH][13C@H]([13CH2][13CH2][13C](=O)O)[13C](=O)O)CCC2=CNC3=C2C(=NC(=N)N3)O c1cc(ccc1CCc2c[nH]c3c2c(=O)[nH]c(n3)N)C(=O)[15NH][13C@H]([13CH2][13CH2][13C](=O)O)[13C](=O)O
InChI=1S/C20H21N5O6/c21-20-24-16-15(18(29)25-20)12(9-22-16)6-3-10-1-4-11(5-2-10)17(28)23-13(19(30)31)7-8-14(26)27/h1-2,4-5,9,13H,3,6-8H2,(H,23,28)(H,26,27)(H,30,31)(H4,21,22,24,25,29)/t13-/m1/s1/i7+1,8+1,13+1,14+1,19+1,23+1
WBXPDJSOTKVWSJ-KUDIPWPMSA-N
CSID:58793420, http://www.chemspider.com/Chemical-Structure.58793420.html (accessed 16:34, Mar 28, 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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