| PDB CCD ID: | T1O |
| Number of entries in BioLiP: | 6 |
| Chemical formula: | C13 H21 N3 O3 S |
| InChI: | 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: | NVGARBFYWDPYAF-UMNHJUIQSA-N |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.385 | CC(=O)CNC(=O)CCCC[CH]1SC[CH]2NC(=O)N[CH]12 | | CACTVS 3.385 | CC(=O)CNC(=O)CCCC[C@H]1SC[C@@H]2NC(=O)N[C@H]12 | | OpenEye OEToolkits 2.0.6 | CC(=O)CNC(=O)CCCCC1C2C(CS1)NC(=O)N2 | | OpenEye OEToolkits 2.0.6 | CC(=O)CNC(=O)CCCC[C@@H]1[C@@H]2[C@H](CS1)NC(=O)N2 | | ACDLabs 12.01 | O=C2NC1C(SCC1N2)CCCCC(=O)NCC(=O)C |
|
| Name: | 5-[(3aS,4R,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]-N-(2-oxopropyl)pentanamide |
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