C9I
Summary
| Name: | (5~{R})-3-(6-carbamimidoylpyridin-3-yl)-~{N}-[(1~{S})-1-naphthalen-1-ylpropyl]-2-oxidanylidene-1,3-oxazolidine-5-carboxamide |
| Formula: | C23 H23 N5 O3 |
| Formal charge: | 0 |
| Formula weight: | 417.46 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (5~{R})-3-(6-carbamimidoylpyridin-3-yl)-~{N}-[(1~{S})-1-naphthalen-1-ylpropyl]-2-oxidanylidene-1,3-oxazolidine-5-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C23H23N5O3/c1-2-18(17-9-5-7-14-6-3-4-8-16(14)17)27-22(29)20-13-28(23(30)31-20)15-10-11-19(21(24)25)26-12-15/h3-12,18,20H,2,13H2,1H3,(H3,24,25)(H,27,29)/t18-,20+/m0/s1 |
| InChIKey | InChI | 1.06 | QAGBDIKHIHPMIP-AZUAARDMSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC[C@H](NC(=O)[C@H]1CN(C(=O)O1)c2ccc(nc2)C(N)=N)c3cccc4ccccc34 |
| SMILES | CACTVS | 3.385 | CC[CH](NC(=O)[CH]1CN(C(=O)O1)c2ccc(nc2)C(N)=N)c3cccc4ccccc34 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | [H]/N=C(/c1ccc(cn1)N2C[C@@H](OC2=O)C(=O)N[C@@H](CC)c3cccc4c3cccc4)\N |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCC(c1cccc2c1cccc2)NC(=O)C3CN(C(=O)O3)c4ccc(nc4)C(=N)N |
