| PDB CCD ID: | NVZ |
| Number of entries in BioLiP: | 8 |
| Chemical formula: | C12 H18 N2 O4 S |
| InChI: | InChI=1S/C12H18N2O4S/c1-7(15)14-8-6-19-9(11(8)13-12(14)18)4-2-3-5-10(16)17/h8-9,11H,2-6H2,1H3,(H,13,18)(H,16,17)/t8-,9-,11-/m0/s1 |
| InChIKey: | LXKFOEIWWHPOIN-QXEWZRGKSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 1.7.2 | CC(=O)N1[C@H]2CS[C@H]([C@H]2NC1=O)CCCCC(=O)O | | OpenEye OEToolkits 1.7.2 | CC(=O)N1C2CSC(C2NC1=O)CCCCC(=O)O | | CACTVS 3.370 | CC(=O)N1[C@H]2CS[C@@H](CCCCC(O)=O)[C@H]2NC1=O | | CACTVS 3.370 | CC(=O)N1[CH]2CS[CH](CCCCC(O)=O)[CH]2NC1=O | | ACDLabs 12.01 | O=C(O)CCCCC1SCC2N(C(=O)C)C(=O)NC12 |
|
| Name: | 5-[(3aS,4S,6aR)-1-acetyl-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoic acid |
| ZINC: | ZINC000095920950 |
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