KFL
Summary
| Name: | 6-[(3~{a}~{S},4~{S},6~{a}~{R})-2-oxidanylidene-1,3,3~{a},4,6,6~{a}-hexahydrothieno[3,4-d]imidazol-4-yl]-~{N}-(2,2,6,6-tetramethyl-1-oxidanyl-piperidin-4-yl)hexanamide |
| Formula: | C20 H36 N4 O3 S |
| Formal charge: | 0 |
| Formula weight: | 412.59 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 6-[(3~{a}~{S},4~{S},6~{a}~{R})-2-oxidanylidene-1,3,3~{a},4,6,6~{a}-hexahydrothieno[3,4-d]imidazol-4-yl]-~{N}-(2,2,6,6-tetramethyl-1-oxidanyl-piperidin-4-yl)hexanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C20H36N4O3S/c1-19(2)10-13(11-20(3,4)24(19)27)21-16(25)9-7-5-6-8-15-17-14(12-28-15)22-18(26)23-17/h13-15,17,27H,5-12H2,1-4H3,(H,21,25)(H2,22,23,26)/t14-,15-,17-/m0/s1 |
| InChIKey | InChI | 1.06 | PUXBASNOQZMIKI-ZOBUZTSGSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC1(C)CC(CC(C)(C)N1O)NC(=O)CCCCC[C@@H]2SC[C@@H]3NC(=O)N[C@H]23 |
| SMILES | CACTVS | 3.385 | CC1(C)CC(CC(C)(C)N1O)NC(=O)CCCCC[CH]2SC[CH]3NC(=O)N[CH]23 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC1(CC(CC(N1O)(C)C)NC(=O)CCCCC[C@H]2[C@@H]3[C@H](CS2)NC(=O)N3)C |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC1(CC(CC(N1O)(C)C)NC(=O)CCCCCC2C3C(CS2)NC(=O)N3)C |
