6DN
Summary
| Name: | (2~{S})-2-azanyl-6-(2-hydroxy-2-oxoethylamino)hexanoic acid |
| Formula: | C8 H16 N2 O4 |
| Formal charge: | 0 |
| Formula weight: | 204.224 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.5 | (2~{S})-2-azanyl-6-(2-hydroxy-2-oxoethylamino)hexanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C8H16N2O4/c9-6(8(13)14)3-1-2-4-10-5-7(11)12/h6,10H,1-5,9H2,(H,11,12)(H,13,14)/t6-/m0/s1 |
| InChIKey | InChI | 1.03 | NUXSIDPKKIEIMI-LURJTMIESA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | N[C@@H](CCCCNCC(O)=O)C(O)=O |
| SMILES | CACTVS | 3.385 | N[CH](CCCCNCC(O)=O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.5 | C(CCNCC(=O)O)C[C@@H](C(=O)O)N |
| SMILES | OpenEye OEToolkits | 2.0.5 | C(CCNCC(=O)O)CC(C(=O)O)N |
