OED
[2-({4-[(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzene-1-carbonyl}amino)-4-methoxyphenyl]acetic acid
Find entries where: OED
is present as a standalone ligand in 2 entries
Chemical Component Summary | |
|---|---|
| Name | [2-({4-[(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzene-1-carbonyl}amino)-4-methoxyphenyl]acetic acid |
| Identifiers | 2-[2-[[4-[(2-azanyl-4-oxidanylidene-3,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)methyl]phenyl]carbonylamino]-4-methoxy-phenyl]ethanoic acid |
| Formula | C23 H21 N5 O5 |
| Molecular Weight | 447.443 |
| Type | NON-POLYMER |
| Isomeric SMILES | COc1ccc(c(c1)NC(=O)c2ccc(cc2)Cc3c[nH]c4c3C(=O)NC(=N4)N)CC(=O)O |
| InChI | InChI=1S/C23H21N5O5/c1-33-16-7-6-14(9-18(29)30)17(10-16)26-21(31)13-4-2-12(3-5-13)8-15-11-25-20-19(15)22(32)28-23(24)27-20/h2-7,10-11H,8-9H2,1H3,(H,26,31)(H,29,30)(H4,24,25,27,28,32) |
| InChIKey | UOZOJZZNBFZRTI-UHFFFAOYSA-N |
Chemical Details | |
|---|---|
| Formal Charge | 0 |
| Atom Count | 54 |
| Chiral Atom Count | 0 |
| Bond Count | 57 |
| Aromatic Bond Count | 17 |
Related Resource References
| Resource Name | Reference |
|---|---|
| PubChem | 139207783 |
