19J
Summary
| Name: | 2-[2-[(2-azanyl-4-oxidanylidene-1H-pteridin-7-yl)carbonylamino]ethanoylamino]ethanoic acid |
| Formula: | C11 H11 N7 O5 |
| Formal charge: | 0 |
| Formula weight: | 321.249 Da |
| Component type: | peptide-like |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 1.7.6 | 2-[2-[(2-azanyl-4-oxidanylidene-1H-pteridin-7-yl)carbonylamino]ethanoylamino]ethanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C11H11N7O5/c12-11-17-8-7(10(23)18-11)14-1-4(16-8)9(22)15-2-5(19)13-3-6(20)21/h1H,2-3H2,(H,13,19)(H,15,22)(H,20,21)(H3,12,16,17,18,23) |
| InChIKey | InChI | 1.03 | WMBGGQNJJUXOQV-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | NC1=NC(=O)c2ncc(nc2N1)C(=O)NCC(=O)NCC(O)=O |
| SMILES | CACTVS | 3.370 | NC1=NC(=O)c2ncc(nc2N1)C(=O)NCC(=O)NCC(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1c(nc2c(n1)C(=O)N=C(N2)N)C(=O)NCC(=O)NCC(=O)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1c(nc2c(n1)C(=O)N=C(N2)N)C(=O)NCC(=O)NCC(=O)O |
