A1IYL
Summary
| Name: | ~{N}-[(2~{S})-4-methyl-1-oxidanylidene-1-[[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]pentan-2-yl]quinoline-8-carboxamide |
| Formula: | C23 H28 N4 O4 |
| Formal charge: | 0 |
| Formula weight: | 424.493 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | ~{N}-[(2~{S})-4-methyl-1-oxidanylidene-1-[[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]pentan-2-yl]quinoline-8-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C23H28N4O4/c1-14(2)11-19(23(31)26-17(13-28)12-16-8-10-25-21(16)29)27-22(30)18-7-3-5-15-6-4-9-24-20(15)18/h3-7,9,13-14,16-17,19H,8,10-12H2,1-2H3,(H,25,29)(H,26,31)(H,27,30)/t16-,17-,19-/m0/s1 |
| InChIKey | InChI | 1.06 | BECRDGNKPCGVAA-LNLFQRSKSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)C[C@H](NC(=O)c1cccc2cccnc12)C(=O)N[C@@H](C[C@@H]3CCNC3=O)C=O |
| SMILES | CACTVS | 3.385 | CC(C)C[CH](NC(=O)c1cccc2cccnc12)C(=O)N[CH](C[CH]3CCNC3=O)C=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)C=O)NC(=O)c2cccc3c2nccc3 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(C)CC(C(=O)NC(CC1CCNC1=O)C=O)NC(=O)c2cccc3c2nccc3 |
