Try beta.chemspider
- Charge
- 1 of 2 defined stereocentres
- Non-standard isotope
Calcium (2S)-2-{[4-({[2-amino-5-(~2~H_3_)methyl-4-oxo-1,4,5,6,7,8-hexahydro-6-pteridinyl]methyl}amino)benzoyl]amino}pentanedioate
C([2H])([2H])([2H])N1C(CNC2=CC=C(C=C2)C(=O)N[C@@H](CCC(=O)[O-])C(=O)O)CNC3=C1C(=NC(=N)N3)[O-].[Ca+2] [2H]C([2H])([2H])N1c2c([nH]c(nc2=O)N)NCC1CNc3ccc(cc3)C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-].[Ca+2]
InChI=1S/C20H25N7O6.Ca/c1-27-12(9-23-16-15(27)18(31)26-20(21)25-16)8-22-11-4-2-10(3-5-11)17(30)24-13(19(32)33)6-7-14(28)29;/h2-5,12-13,22H,6-9H2,1H3,(H,24,30)(H,28,29)(H,32,33)(H4,21,23,25,26,31);/q;+2/p-2/t12?,13-;/m0./s1/i1D3;
VWBBRFHSPXRJQD-ROPQVXFJSA-L
CSID:58783443, http://www.chemspider.com/Chemical-Structure.58783443.html (accessed 05:10, Jun 1, 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
No predicted properties have been calculated for this compound.
Click to predict properties on the Chemicalize site
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