SYM
Summary
| Name: | 2S,4R-4-METHYLGLUTAMATE |
| Formula: | C6 H10 N O4 |
| Formal charge: | -1 |
| Formula weight: | 160.148 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (2S,4R)-2-amino-4-carboxypentanoate |
| OpenEye OEToolkits | 1.5.0 | (2S,4R)-2-amino-5-hydroxy-4-methyl-5-oxo-pentanoate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | [O-]C(=O)C(N)CC(C(=O)O)C |
| SMILES_CANONICAL | CACTVS | 3.341 | C[C@H](C[C@H](N)C([O-])=O)C(O)=O |
| SMILES | CACTVS | 3.341 | C[CH](C[CH](N)C([O-])=O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C[C@H](C[C@@H](C(=O)[O-])N)C(=O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | CC(CC(C(=O)[O-])N)C(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C6H11NO4/c1-3(5(8)9)2-4(7)6(10)11/h3-4H,2,7H2,1H3,(H,8,9)(H,10,11)/p-1/t3-,4+/m1/s1 |
| InChIKey | InChI | 1.03 | KRKRAOXTGDJWNI-DMTCNVIQSA-M |
