Summary
| Name: | 2S,3S-3-METHYLASPARTIC ACID |
| Formula: | C5 H9 N O4 |
| Formal charge: | 0 |
| Formula weight: | 147.129 Da |
| Component type: | L-PEPTIDE LINKING |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (3S)-3-methyl-L-aspartic acid |
| OpenEye OEToolkits | 1.5.0 | (2S,3S)-2-amino-3-methyl-butanedioic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)C(C)C(N)C(=O)O |
| InChI | InChI | 1.02b | InChI=1/C5H9NO4/c1-2(4(7)8)3(6)5(9)10/h2-3H,6H2,1H3,(H,7,8)(H,9,10)/t2-,3-/m0/s1/f/h7,9H |
| InChIKey | InChI | 1.02b | LXRUAYBIUSUULX-VWLPWOFADQ |
| SMILES_CANONICAL | CACTVS | 3.341 | C[C@@H]([C@H](N)C(O)=O)C(O)=O |
| SMILES | CACTVS | 3.341 | C[CH]([CH](N)C(O)=O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C[C@@H]([C@@H](C(=O)O)N)C(=O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | CC(C(C(=O)O)N)C(=O)O |
