LME
Summary
| Name: | (2S,3R)-2-azanyl-3-methyl-pentanedioic acid |
| Synonyms: | (3R)-3-methyl-L-glutamic acid |
| Formula: | C6 H11 N O4 |
| Formal charge: | 0 |
| Formula weight: | 161.156 Da |
| Component type: | L-PEPTIDE LINKING |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (3R)-3-methyl-L-glutamic acid |
| OpenEye OEToolkits | 1.7.0 | (2S,3R)-2-azanyl-3-methyl-pentanedioic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)C(N)C(CC(=O)O)C |
| SMILES_CANONICAL | CACTVS | 3.370 | C[C@H](CC(O)=O)[C@H](N)C(O)=O |
| SMILES | CACTVS | 3.370 | C[CH](CC(O)=O)[CH](N)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | C[C@H](CC(=O)O)[C@@H](C(=O)O)N |
| SMILES | OpenEye OEToolkits | 1.7.0 | CC(CC(=O)O)C(C(=O)O)N |
| InChI | InChI | 1.03 | InChI=1S/C6H11NO4/c1-3(2-4(8)9)5(7)6(10)11/h3,5H,2,7H2,1H3,(H,8,9)(H,10,11)/t3-,5+/m1/s1 |
| InChIKey | InChI | 1.03 | FHJNAFIJPFGZRI-WUJLRWPWSA-N |
