| PDB CCD ID: | S7H |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C12 H17 N3 O6 |
| InChI: | InChI=1S/C12H17N3O6/c1-7(16)2-13-10(17)14(3-8-5-20-8)12(19)15(11(13)18)4-9-6-21-9/h7-9,16H,2-6H2,1H3/t7-,8-,9+/m1/s1 |
| InChIKey: | MRWWCVUTOFNJLM-HLTSFMKQSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 2.0.7 | C[C@H](CN1C(=O)N(C(=O)N(C1=O)C[C@@H]2CO2)C[C@H]3CO3)O | | CACTVS 3.385 | C[CH](O)CN1C(=O)N(C[CH]2CO2)C(=O)N(C[CH]3CO3)C1=O | | CACTVS 3.385 | C[C@@H](O)CN1C(=O)N(C[C@H]2CO2)C(=O)N(C[C@@H]3CO3)C1=O | | OpenEye OEToolkits 2.0.7 | CC(CN1C(=O)N(C(=O)N(C1=O)CC2CO2)CC3CO3)O |
|
| Name: | 1-[(2~{R})-2-oxidanylpropyl]-3-[[(2~{R})-oxiran-2-yl]methyl]-5-[[(2~{S})-oxiran-2-yl]methyl]-1,3,5-triazinane-2,4,6-trione |
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