2AS
Summary
| Name: | (2S,3S)-3-methyl-aspartic 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 | 1.6.1 | (2S,3S)-2-azanyl-1,4-dihydroxy-3-methyl-butane-1,1-dione |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)C(C)C(N)C(=O)O |
| SMILES_CANONICAL | CACTVS | 3.352 | C[C@H]([C]O)[C@H](N)[C](O)(=O)=O |
| SMILES | CACTVS | 3.352 | C[CH]([C]O)[CH](N)[C](O)(=O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | C[C@H]([C]O)[C@@H](C(=O)(=O)O)N |
| SMILES | OpenEye OEToolkits | 1.7.0 | CC([C]O)C(C(=O)(=O)O)N |
| InChI | InChI | 1.03 | InChI=1S/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 |
| InChIKey | InChI | 1.03 | LXRUAYBIUSUULX-HRFVKAFMSA-N |
