OG5
Summary
| Name: | (3~{R})-~{N}-[(2-azanyl-2-adamantyl)methyl]-3-[[6-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]pyridin-3-yl]sulfonylamino]-3-phenyl-propanamide |
| Formula: | C29 H35 N5 O5 S |
| Formal charge: | 0 |
| Formula weight: | 565.684 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (3~{R})-~{N}-[(2-azanyl-2-adamantyl)methyl]-3-[[6-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]pyridin-3-yl]sulfonylamino]-3-phenyl-propanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C29H35N5O5S/c30-29(21-11-18-10-19(13-21)14-22(29)12-18)17-32-26(35)15-24(20-4-2-1-3-5-20)33-40(38,39)23-6-7-25(31-16-23)34-27(36)8-9-28(34)37/h1-7,16,18-19,21-22,24,33H,8-15,17,30H2,(H,32,35)/t18-,19+,21-,22+,24-,29-/m1/s1 |
| InChIKey | InChI | 1.03 | ZHYURJLGEWNOMP-HCCACUNUSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NC1(CNC(=O)C[C@@H](N[S](=O)(=O)c2ccc(nc2)N3C(=O)CCC3=O)c4ccccc4)C5CC6CC(C5)CC1C6 |
| SMILES | CACTVS | 3.385 | NC1(CNC(=O)C[CH](N[S](=O)(=O)c2ccc(nc2)N3C(=O)CCC3=O)c4ccccc4)C5CC6CC(C5)CC1C6 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)[C@@H](CC(=O)NCC2(C3CC4CC(C3)CC2C4)N)NS(=O)(=O)c5ccc(nc5)N6C(=O)CCC6=O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)C(CC(=O)NCC2(C3CC4CC(C3)CC2C4)N)NS(=O)(=O)c5ccc(nc5)N6C(=O)CCC6=O |
