X08
Summary
| Name: | 5-[(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-[(5-methylpyridin-2-yl)methylamino]ethyl]pentanamide |
| Formula: | C19 H29 N5 O2 S |
| Formal charge: | 0 |
| Formula weight: | 391.531 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 5-[(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-[(5-methylpyridin-2-yl)methylamino]ethyl]pentanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C19H29N5O2S/c1-13-6-7-14(22-10-13)11-20-8-9-21-17(25)5-3-2-4-16-18-15(12-27-16)23-19(26)24-18/h6-7,10,15-16,18,20H,2-5,8-9,11-12H2,1H3,(H,21,25)(H2,23,24,26)/t15-,16-,18-/m0/s1 |
| InChIKey | InChI | 1.06 | OQHGPOCPZMPZKJ-BQFCYCMXSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1ccc(CNCCNC(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@H]23)nc1 |
| SMILES | CACTVS | 3.385 | Cc1ccc(CNCCNC(=O)CCCC[CH]2SC[CH]3NC(=O)N[CH]23)nc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1ccc(nc1)CNCCNC(=O)CCCC[C@H]2[C@@H]3[C@H](CS2)NC(=O)N3 |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1ccc(nc1)CNCCNC(=O)CCCCC2C3C(CS2)NC(=O)N3 |
