| PDB CCD ID: | V4J |
| Number of entries in BioLiP: | 0 |
| Chemical formula: | C18 H32 N2 O5 S |
| InChI: | InChI=1S/C18H32N2O5S/c1-2-13(21)6-5-9-24-10-11-25-16(22)8-4-3-7-15-17-14(12-26-15)19-18(23)20-17/h13-15,17,21H,2-12H2,1H3,(H2,19,20,23)/t13-,14+,15+,17+/m1/s1 |
| InChIKey: | XPLYDBRQTYFSEO-AESZEHBQSA-N |
| SMILES: | | Software | SMILES |
|---|
| ACDLabs 12.01 | C(CCC(OCCOCCCC(CC)O)=O)CC1C2C(CS1)NC(N2)=O | | OpenEye OEToolkits 2.0.7 | CCC(CCCOCCOC(=O)CCCCC1C2C(CS1)NC(=O)N2)O | | CACTVS 3.385 | CC[CH](O)CCCOCCOC(=O)CCCC[CH]1SC[CH]2NC(=O)N[CH]12 | | CACTVS 3.385 | CC[C@@H](O)CCCOCCOC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12 | | OpenEye OEToolkits 2.0.7 | CC[C@H](CCCOCCOC(=O)CCCC[C@H]1[C@@H]2[C@H](CS1)NC(=O)N2)O |
|
| Name: | 2-{[(4R)-4-hydroxyhexyl]oxy}ethyl 5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoate |
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