6KZ
Summary
| Name: | N-[(2S)-4-methyl-1-oxidanylidene-1-[[(1R,2S)-1-oxidanyl-1-(5-phenyl-1,2,4-oxadiazol-3-yl)butan-2-yl]amino]pentan-2-yl]morpholine-4-carboxamide |
| Formula: | C23 H33 N5 O5 |
| Formal charge: | 0 |
| Formula weight: | 459.539 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-[(1R,2S)-1-hydroxy-1-(5-phenyl-1,2,4-oxadiazol-3-yl)butan-2-yl]-N~2~-(morpholin-4-ylcarbonyl)-L-leucinamide |
| OpenEye OEToolkits | 1.9.2 | N-[(2S)-4-methyl-1-oxidanylidene-1-[[(1R,2S)-1-oxidanyl-1-(5-phenyl-1,2,4-oxadiazol-3-yl)butan-2-yl]amino]pentan-2-yl]morpholine-4-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(N1CCOCC1)NC(C(=O)NC(C(O)c2nc(on2)c3ccccc3)CC)CC(C)C |
| InChI | InChI | 1.03 | InChI=1S/C23H33N5O5/c1-4-17(19(29)20-26-22(33-27-20)16-8-6-5-7-9-16)24-21(30)18(14-15(2)3)25-23(31)28-10-12-32-13-11-28/h5-9,15,17-19,29H,4,10-14H2,1-3H3,(H,24,30)(H,25,31)/t17-,18-,19+/m0/s1 |
| InChIKey | InChI | 1.03 | SEDXNAIXMHPLCI-GBESFXJTSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)N1CCOCC1)[C@@H](O)c2noc(n2)c3ccccc3 |
| SMILES | CACTVS | 3.385 | CC[CH](NC(=O)[CH](CC(C)C)NC(=O)N1CCOCC1)[CH](O)c2noc(n2)c3ccccc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | CC[C@@H]([C@H](c1nc(on1)c2ccccc2)O)NC(=O)[C@H](CC(C)C)NC(=O)N3CCOCC3 |
| SMILES | OpenEye OEToolkits | 1.9.2 | CCC(C(c1nc(on1)c2ccccc2)O)NC(=O)C(CC(C)C)NC(=O)N3CCOCC3 |
