AQK
Summary
| Name: | (2~{S})-5-azanyl-2-(2-hydroxy-2-oxoethylamino)pentanoic acid |
| Formula: | C7 H14 N2 O4 |
| Formal charge: | 0 |
| Formula weight: | 190.197 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | (2~{S})-5-azanyl-2-(2-hydroxy-2-oxoethylamino)pentanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C7H14N2O4/c8-3-1-2-5(7(12)13)9-4-6(10)11/h5,9H,1-4,8H2,(H,10,11)(H,12,13)/t5-/m0/s1 |
| InChIKey | InChI | 1.03 | YVSBHPGVGNJMHM-YFKPBYRVSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NCCC[C@H](NCC(O)=O)C(O)=O |
| SMILES | CACTVS | 3.385 | NCCC[CH](NCC(O)=O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | C(C[C@@H](C(=O)O)NCC(=O)O)CN |
| SMILES | OpenEye OEToolkits | 2.0.6 | C(CC(C(=O)O)NCC(=O)O)CN |
