HTE
Summary
| Name: | (5~{S},7~{R},8~{S},9~{S},10~{R})-7-(hydroxymethyl)-8,9,10-tris(oxidanyl)-2-phenyl-6-oxa-1,3-diazaspiro[4.5]dec-1-en-4-one |
| Formula: | C14 H16 N2 O6 |
| Formal charge: | 0 |
| Formula weight: | 308.287 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | (5~{S},7~{R},8~{S},9~{S},10~{R})-7-(hydroxymethyl)-8,9,10-tris(oxidanyl)-2-phenyl-6-oxa-1,3-diazaspiro[4.5]dec-1-en-4-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C14H16N2O6/c17-6-8-9(18)10(19)11(20)14(22-8)13(21)15-12(16-14)7-4-2-1-3-5-7/h1-5,8-11,17-20H,6H2,(H,15,16,21)/t8-,9-,10+,11-,14+/m1/s1 |
| InChIKey | InChI | 1.03 | BCSCGCOVRJYILO-QEGBUVANSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC[C@H]1O[C@@]2(N=C(NC2=O)c3ccccc3)[C@H](O)[C@@H](O)[C@@H]1O |
| SMILES | CACTVS | 3.385 | OC[CH]1O[C]2(N=C(NC2=O)c3ccccc3)[CH](O)[CH](O)[CH]1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1ccc(cc1)C2=N[C@]3([C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)C(=O)N2 |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1ccc(cc1)C2=NC3(C(C(C(C(O3)CO)O)O)O)C(=O)N2 |
