T1O
Summary
| Name: | 5-[(3aS,4R,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]-N-(2-oxopropyl)pentanamide |
| Formula: | C13 H21 N3 O3 S |
| Formal charge: | 0 |
| Formula weight: | 299.389 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 5-[(3aS,4R,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]-N-(2-oxopropyl)pentanamide |
| OpenEye OEToolkits | 2.0.6 | 5-[(3~{a}~{S},4~{R},6~{a}~{R})-2-oxidanylidene-1,3,3~{a},4,6,6~{a}-hexahydrothieno[3,4-d]imidazol-4-yl]-~{N}-(2-oxidanylidenepropyl)pentanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C2NC1C(SCC1N2)CCCCC(=O)NCC(=O)C |
| InChI | InChI | 1.03 | InChI=1S/C13H21N3O3S/c1-8(17)6-14-11(18)5-3-2-4-10-12-9(7-20-10)15-13(19)16-12/h9-10,12H,2-7H2,1H3,(H,14,18)(H2,15,16,19)/t9-,10+,12-/m0/s1 |
| InChIKey | InChI | 1.03 | NVGARBFYWDPYAF-UMNHJUIQSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(=O)CNC(=O)CCCC[C@H]1SC[C@@H]2NC(=O)N[C@H]12 |
| SMILES | CACTVS | 3.385 | CC(=O)CNC(=O)CCCC[CH]1SC[CH]2NC(=O)N[CH]12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CC(=O)CNC(=O)CCCC[C@@H]1[C@@H]2[C@H](CS1)NC(=O)N2 |
| SMILES | OpenEye OEToolkits | 2.0.6 | CC(=O)CNC(=O)CCCCC1C2C(CS1)NC(=O)N2 |
