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CHEBI:49598 - METHYL 1-(4-{[(2,4-DIAMINOPTERIDIN-6-YL)METHYL](METHYL)AMINO}BENZOYL)PIPERIDINE-4-CARBOXYLATE
| Formula | C22H26N8O3 |
| Net Charge | 0 |
| Average Mass | 450.503 |
| Monoisotopic Mass | 450.21279 |
| SMILES | [H]c1nc2nc(N([H])[H])nc(N([H])[H])c2nc1C([H])([H])N(c1c([H])c([H])c(C(=O)N2C([H])([H])C([H])([H])C([H])(C(=O)OC([H])([H])[H])C([H])([H])C2([H])[H])c([H])c1[H])C([H])([H])[H] |
| InChI | InChI=1S/C22H26N8O3/c1-29(12-15-11-25-19-17(26-15)18(23)27-22(24)28-19)16-5-3-13(4-6-16)20(31)30-9-7-14(8-10-30)21(32)33-2/h3-6,11,14H,7-10,12H2,1-2H3,(H4,23,24,25,27,28) |
| InChIKey | UKCFUFHREWUXJJ-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| METHYL 1-(4-{[(2,4-DIAMINOPTERIDIN-6-YL)METHYL](METHYL)AMINO}BENZOYL)PIPERIDINE-4-CARBOXYLATE (CHEBI:49598) is a unclassifieds (CHEBI:27189) |
| Synonyms | Source |
|---|---|
| METHYL 1-(4-{[(2,4-DIAMINOPTERIDIN-6-YL)METHYL](METHYL)AMINO}BENZOYL)PIPERIDINE-4-CARBOXYLATE | PDBeChem |
| methyl 1-[(4-{[(2,4-diaminopteridin-6-yl)methyl](methyl)amino}phenyl)carbonyl]piperidine-4-carboxylate | PDBeChem |
| Manual Xrefs | Databases |
|---|---|
| FE1 | PDBeChem |