GHR
Summary
| Name: | [[(3S,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)piperidin-2-ylidene]amino] N-(4-chlorophenyl)carbamate |
| Formula: | C13 H16 Cl N3 O6 |
| Formal charge: | 0 |
| Formula weight: | 345.736 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 1.5.0 | [[(3S,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)piperidin-2-ylidene]amino] N-(4-chlorophenyl)carbamate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES_CANONICAL | CACTVS | 3.341 | OC[C@H]1N\C(=N/OC(=O)Nc2ccc(Cl)cc2)[C@H](O)[C@@H](O)[C@@H]1O |
| SMILES | CACTVS | 3.341 | OC[CH]1NC(=NOC(=O)Nc2ccc(Cl)cc2)[CH](O)[CH](O)[CH]1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1cc(ccc1NC(=O)O/N=C\2/[C@@H]([C@H]([C@@H]([C@H](N2)CO)O)O)O)Cl |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1cc(ccc1NC(=O)ON=C2C(C(C(C(N2)CO)O)O)O)Cl |
| InChI | InChI | 1.03 | InChI=1S/C13H16ClN3O6/c14-6-1-3-7(4-2-6)15-13(22)23-17-12-11(21)10(20)9(19)8(5-18)16-12/h1-4,8-11,18-21H,5H2,(H,15,22)(H,16,17)/t8-,9-,10+,11-/m1/s1 |
| InChIKey | InChI | 1.03 | TZXVKBJPSZOBNV-CHWFTXMASA-N |
