| PDB CCD ID: | BC4 |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C11 H16 N2 O S |
| InChI: | InChI=1S/C11H16N2OS/c1-2-3-4-5-6-9-10-8(7-15-9)12-11(14)13-10/h1,8-10H,3-7H2,(H2,12,13,14)/t8-,9-,10-/m0/s1 |
| InChIKey: | MGFIEEWTLUFGHD-GUBZILKMSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 1.7.6 | C#CCCCC[C@H]1[C@@H]2[C@H](CS1)NC(=O)N2 | | CACTVS 3.385 | O=C1N[C@H]2CS[C@@H](CCCCC#C)[C@H]2N1 | | CACTVS 3.385 | O=C1N[CH]2CS[CH](CCCCC#C)[CH]2N1 | | ACDLabs 12.01 | O=C1NC2C(SCC2N1)CCCCC#C | | OpenEye OEToolkits 1.7.6 | C#CCCCCC1C2C(CS1)NC(=O)N2 |
|
| Name: | (3aS,4S,6aR)-4-(hex-5-yn-1-yl)tetrahydro-1H-thieno[3,4-d]imidazol-2(3H)-one;
biotin acetylene |
| ChEMBL: | CHEMBL2063403 |
| ZINC: | ZINC000084707038 |
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