KFT
Summary
| Name: | (2~{S},3~{R},4~{S},5~{R})-5-(hydroxymethyl)-3,4-bis(oxidanyl)-~{N}-pentyl-pyrrolidine-2-carboxamide |
| Formula: | C11 H22 N2 O4 |
| Formal charge: | 0 |
| Formula weight: | 246.303 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (2~{S},3~{R},4~{S},5~{R})-5-(hydroxymethyl)-3,4-bis(oxidanyl)-~{N}-pentyl-pyrrolidine-2-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C11H22N2O4/c1-2-3-4-5-12-11(17)8-10(16)9(15)7(6-14)13-8/h7-10,13-16H,2-6H2,1H3,(H,12,17)/t7-,8+,9+,10-/m1/s1 |
| InChIKey | InChI | 1.03 | QKDMGVVHKYSWEM-XFWSIPNHSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCCCCNC(=O)[C@H]1N[C@H](CO)[C@H](O)[C@@H]1O |
| SMILES | CACTVS | 3.385 | CCCCCNC(=O)[CH]1N[CH](CO)[CH](O)[CH]1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCCCCNC(=O)[C@@H]1[C@H]([C@H]([C@H](N1)CO)O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCCCCNC(=O)C1C(C(C(N1)CO)O)O |
