S56
(2S)-3-[4-amino-7-(2-methoxyethyl)-5-(4-phenoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-2-cyano-N-(propan-2-yl)propanamide
Find entries where: S56
as a non-polymer is covalently linked to polymer or other heterogen groups 1 entries
Chemical Component Summary | |
|---|---|
| Name | (2S)-3-[4-amino-7-(2-methoxyethyl)-5-(4-phenoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-2-cyano-N-(propan-2-yl)propanamide |
| Synonyms | Rao-IV-156, bound form |
| Identifiers | (2~{S})-3-[4-azanyl-7-(2-methoxyethyl)-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-6-yl]-2-cyano-~{N}-propan-2-yl-propanamide |
| Formula | C28 H30 N6 O3 |
| Molecular Weight | 498.576 |
| Type | NON-POLYMER |
| Isomeric SMILES | CC(C)NC(=O)[C@@H](Cc1c(c2c(ncnc2n1CCOC)N)c3ccc(cc3)Oc4ccccc4)C#N |
| InChI | InChI=1S/C28H30N6O3/c1-18(2)33-28(35)20(16-29)15-23-24(25-26(30)31-17-32-27(25)34(23)13-14-36-3)19-9-11-22(12-10-19)37-21-7-5-4-6-8-21/h4-12,17-18,20H,13-15H2,1-3H3,(H,33,35)(H2,30,31,32)/t20-/m0/s1 |
| InChIKey | GAMOPTBAZOPJOL-FQEVSTJZSA-N |
Chemical Details | |
|---|---|
| Formal Charge | 0 |
| Atom Count | 67 |
| Chiral Atom Count | 1 |
| Bond Count | 70 |
| Aromatic Bond Count | 22 |
Related Resource References
| Resource Name | Reference |
|---|---|
| PubChem | 137349983 |
