ACB
Summary
| Name: | 3-METHYL-BETA-D-ASPARTIC ACID |
| Synonyms: | (3S)-3-methyl-D-aspartic acid D-METHYL ASPARTIC ACID |
| Formula: | C5 H9 N O4 |
| Formal charge: | 0 |
| Formula weight: | 147.129 Da |
| Component type: | D-beta-peptide, C-gamma linking |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (3S)-3-methyl-D-aspartic acid |
| OpenEye OEToolkits | 1.7.2 | (2R,3S)-2-azanyl-3-methyl-butanedioic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)C(N)C(C(=O)O)C |
| SMILES_CANONICAL | CACTVS | 3.370 | C[C@@H]([C@@H](N)C(O)=O)C(O)=O |
| SMILES | CACTVS | 3.370 | C[CH]([CH](N)C(O)=O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.2 | C[C@@H]([C@H](C(=O)O)N)C(=O)O |
| SMILES | OpenEye OEToolkits | 1.7.2 | CC(C(C(=O)O)N)C(=O)O |
| 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-STHAYSLISA-N |
