INC
Summary
| Name: | 2-(ACETYL-HYDROXY-AMINO)-4-METHYL-PENTANOIC ACID METHYL ESTER |
| Formula: | C9 H17 N O4 |
| Formal charge: | 0 |
| Formula weight: | 203.236 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | methyl N-acetyl-N-hydroxy-D-leucinate |
| OpenEye OEToolkits | 1.5.0 | methyl (2R)-2-(ethanoyl-hydroxy-amino)-4-methyl-pentanoate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(N(O)C(C(=O)OC)CC(C)C)C |
| SMILES_CANONICAL | CACTVS | 3.341 | COC(=O)[C@@H](CC(C)C)N(O)C(C)=O |
| SMILES | CACTVS | 3.341 | COC(=O)[CH](CC(C)C)N(O)C(C)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CC(C)C[C@H](C(=O)OC)N(C(=O)C)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | CC(C)CC(C(=O)OC)N(C(=O)C)O |
| InChI | InChI | 1.03 | InChI=1S/C9H17NO4/c1-6(2)5-8(9(12)14-4)10(13)7(3)11/h6,8,13H,5H2,1-4H3/t8-/m1/s1 |
| InChIKey | InChI | 1.03 | OVUHENJPIUQHLJ-MRVPVSSYSA-N |
