Obsolete: ASK
Summary
| Name: | DEHYDROXYMETHYLASPARTIC ACID |
| Synonyms: | ASPARTYLMETHANE |
| Formula: | C5 H9 N O3 |
| Formal charge: | 0 |
| Formula weight: | 131.13 Da |
| Component type: | L-PEPTIDE LINKING |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (3S)-3-amino-4-oxopentanoic acid |
| OpenEye OEToolkits | 1.7.0 | (3S)-3-azanyl-4-oxo-pentanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(C)C(N)CC(=O)O |
| SMILES_CANONICAL | CACTVS | 3.370 | CC(=O)[C@@H](N)CC(O)=O |
| SMILES | CACTVS | 3.370 | CC(=O)[CH](N)CC(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | CC(=O)[C@H](CC(=O)O)N |
| SMILES | OpenEye OEToolkits | 1.7.0 | CC(=O)C(CC(=O)O)N |
| InChI | InChI | 1.03 | InChI=1S/C5H9NO3/c1-3(7)4(6)2-5(8)9/h4H,2,6H2,1H3,(H,8,9)/t4-/m0/s1 |
| InChIKey | InChI | 1.03 | GLBZTEXOKUGEES-BYPYZUCNSA-N |
