| PDB CCD ID: | BN7 |
| Number of entries in BioLiP: | 4 |
| Chemical formula: | C14 H24 N2 O3 S |
| InChI: | InChI=1S/C14H24N2O3S/c1-9(2)7-19-12(17)6-4-3-5-11-13-10(8-20-11)15-14(18)16-13/h9-11,13H,3-8H2,1-2H3,(H2,15,16,18)/t10-,11-,13-/m0/s1 |
| InChIKey: | TYWDFVAUHFABAM-GVXVVHGQSA-N |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.385 | CC(C)COC(=O)CCCC[CH]1SC[CH]2NC(=O)N[CH]12 | | ACDLabs 12.01 | O=C(OCC(C)C)CCCCC2C1NC(=O)NC1CS2 | | CACTVS 3.385 | CC(C)COC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12 | | OpenEye OEToolkits 2.0.6 | CC(C)COC(=O)CCCC[C@H]1[C@@H]2[C@H](CS1)NC(=O)N2 | | OpenEye OEToolkits 2.0.6 | CC(C)COC(=O)CCCCC1C2C(CS1)NC(=O)N2 |
|
| Name: | 2-methylpropyl 5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoate |
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