80Z
Summary
| Name: | 1,5-dimethyl-~{N}-[(1~{R})-2-(methylamino)-1-(oxan-4-yl)-2-oxidanylidene-ethyl]-6-oxidanylidene-~{N}-[(2~{S})-2-phenyl-2-pyridin-2-yl-ethyl]pyridine-3-carboxamide |
| Formula: | C29 H34 N4 O4 |
| Formal charge: | 0 |
| Formula weight: | 502.605 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 1,5-dimethyl-~{N}-[(1~{R})-2-(methylamino)-1-(oxan-4-yl)-2-oxidanylidene-ethyl]-6-oxidanylidene-~{N}-[(2~{S})-2-phenyl-2-pyridin-2-yl-ethyl]pyridine-3-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C29H34N4O4/c1-20-17-23(18-32(3)28(20)35)29(36)33(26(27(34)30-2)22-12-15-37-16-13-22)19-24(21-9-5-4-6-10-21)25-11-7-8-14-31-25/h4-11,14,17-18,22,24,26H,12-13,15-16,19H2,1-3H3,(H,30,34)/t24-,26-/m1/s1 |
| InChIKey | InChI | 1.06 | MDCZQITXTAMNNV-AOYPEHQESA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CNC(=O)[C@@H](C1CCOCC1)N(C[C@H](c2ccccc2)c3ccccn3)C(=O)C4=CN(C)C(=O)C(=C4)C |
| SMILES | CACTVS | 3.385 | CNC(=O)[CH](C1CCOCC1)N(C[CH](c2ccccc2)c3ccccn3)C(=O)C4=CN(C)C(=O)C(=C4)C |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC1=CC(=CN(C1=O)C)C(=O)N(C[C@H](c2ccccc2)c3ccccn3)[C@H](C4CCOCC4)C(=O)NC |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC1=CC(=CN(C1=O)C)C(=O)N(CC(c2ccccc2)c3ccccn3)C(C4CCOCC4)C(=O)NC |
