Q1N
Summary
| Name: | (2~{R})-~{N}-(2-azanylideneethyl)-2-[2-(3-methyl-1,2-oxazol-5-yl)ethanoylamino]-3-(4-pyridin-2-ylpiperazin-1-yl)sulfonyl-propanamide |
| Formula: | C20 H27 N7 O5 S |
| Formal charge: | 0 |
| Formula weight: | 477.537 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (2~{R})-~{N}-(2-azanylideneethyl)-2-[2-(3-methyl-1,2-oxazol-5-yl)ethanoylamino]-3-(4-pyridin-2-ylpiperazin-1-yl)sulfonyl-propanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C20H27N7O5S/c1-15-12-16(32-25-15)13-19(28)24-17(20(29)23-7-5-21)14-33(30,31)27-10-8-26(9-11-27)18-4-2-3-6-22-18/h2-6,12,17,21H,7-11,13-14H2,1H3,(H,23,29)(H,24,28)/b21-5-/t17-/m0/s1 |
| InChIKey | InChI | 1.03 | RJJWMSGSKPHRAN-NEEXXPDWSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1cc(CC(=O)N[C@@H](C[S](=O)(=O)N2CCN(CC2)c3ccccn3)C(=O)NCC=N)on1 |
| SMILES | CACTVS | 3.385 | Cc1cc(CC(=O)N[CH](C[S](=O)(=O)N2CCN(CC2)c3ccccn3)C(=O)NCC=N)on1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | [H]/N=C\CNC(=O)[C@H](CS(=O)(=O)N1CCN(CC1)c2ccccn2)NC(=O)Cc3cc(no3)C |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1cc(on1)CC(=O)NC(CS(=O)(=O)N2CCN(CC2)c3ccccn3)C(=O)NCC=N |
