AC1L7USH
dimethyl 2-[[4-[(2-imino-1,3-dimethyl-4-oxopteridin-6-yl)methylamino]benzoyl]amino]pentanedioate
Also Known As: 11H-Indeno[1,2-b]quinoxaline,2,4,7-trinitro|dimethyl 2-[[4-[(2-imino-1,3-dimethyl-4-oxo-pteridin-6-yl)methylamino]benzoyl]amino]pentanedioate|dimethyl 2-[[4-[(2-imino-1,3-dimethyl-4-oxopteridin-6-yl)methylamino]benzoyl]amino]pentanedioate|Dimethyl N-(4-{[(2-imino-1,3-dimethyl-4-oxo-1,2,3,4-tetrahydropteridin-6-yl)methyl]amino}benzoyl)glutamate
| Molecular Formula | C23H27N7O6 |
|---|---|
| Molecular Weight | 497.20227 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 167.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 11 |
| Exact Mass | 497.20227 |
| Monoisotopic Mass | 497.20227 |
| Heavy Atoms | 36 |
| Complexity | 847.0 |
Chemical Identifiers
| CAS Number | 65757-04-2 |
|---|---|
| SMILES | CN1C2=NC=C(N=C2C(=O)N(C1=N)C)CNC3=CC=C(C=C3)C(=O)NC(CCC(=O)OC)C(=O)OC |
| InChIKey | MJLITWIMDHZECC-UHFFFAOYSA-N |
Product Overview
AC1L7USH (CAS 65757-04-2), with molecular formula C23H27N7O6 and molecular weight 497.20227 g/mol. IUPAC: dimethyl 2-[[4-[(2-imino-1,3-dimethyl-4-oxopteridin-6-yl)methylamino]benzoyl]amino]pentanedioate.
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