CG8
Summary
| Name: | (2~{S})-2-azanyl-3-[6-methyl-2,4-bis(oxidanylidene)-5,7-dihydropyrrolo[3,4-d]pyrimidin-1-yl]propanoic acid |
| Formula: | C10 H14 N4 O4 |
| Formal charge: | 0 |
| Formula weight: | 254.243 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | (2~{S})-2-azanyl-3-[6-methyl-2,4-bis(oxidanylidene)-5,7-dihydropyrrolo[3,4-d]pyrimidin-1-yl]propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C10H14N4O4/c1-13-2-5-7(4-13)14(3-6(11)9(16)17)10(18)12-8(5)15/h6H,2-4,11H2,1H3,(H,16,17)(H,12,15,18)/t6-/m0/s1 |
| InChIKey | InChI | 1.03 | BJXZWHLUHLDGNK-LURJTMIESA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN1CC2=C(C1)C(=O)NC(=O)N2C[C@H](N)C(O)=O |
| SMILES | CACTVS | 3.385 | CN1CC2=C(C1)C(=O)NC(=O)N2C[CH](N)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CN1CC2=C(C1)N(C(=O)NC2=O)C[C@@H](C(=O)O)N |
| SMILES | OpenEye OEToolkits | 2.0.6 | CN1CC2=C(C1)N(C(=O)NC2=O)CC(C(=O)O)N |
