A1X
Summary
| Name: | ethyl (2S)-2-hydroxy-4-[1-(2-methylpropyl)hydrazino]-4-oxobutanoate |
| Formula: | C10 H20 N2 O4 |
| Formal charge: | 0 |
| Formula weight: | 232.277 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | ethyl (2S)-2-hydroxy-4-[1-(2-methylpropyl)hydrazino]-4-oxobutanoate |
| OpenEye OEToolkits | 1.5.0 | ethyl (2S)-4-(amino-(2-methylpropyl)amino)-2-hydroxy-4-oxo-butanoate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(N(N)CC(C)C)CC(O)C(=O)OCC |
| SMILES_CANONICAL | CACTVS | 3.341 | CCOC(=O)[C@@H](O)CC(=O)N(N)CC(C)C |
| SMILES | CACTVS | 3.341 | CCOC(=O)[CH](O)CC(=O)N(N)CC(C)C |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CCOC(=O)[C@H](CC(=O)N(CC(C)C)N)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | CCOC(=O)C(CC(=O)N(CC(C)C)N)O |
| InChI | InChI | 1.03 | InChI=1S/C10H20N2O4/c1-4-16-10(15)8(13)5-9(14)12(11)6-7(2)3/h7-8,13H,4-6,11H2,1-3H3/t8-/m0/s1 |
| InChIKey | InChI | 1.03 | GRBPPFREWIWFIU-QMMMGPOBSA-N |
