GZJ
Summary
| Name: | (2S)-2-(acetylamino)butanoic acid |
| Formula: | C6 H11 N O3 |
| Formal charge: | 0 |
| Formula weight: | 145.156 Da |
| Component type: | L-peptide linking |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2S)-2-(acetylamino)butanoic acid |
| OpenEye OEToolkits | 2.0.6 | (2~{S})-2-acetamidobutanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | CC(NC(C(=O)O)CC)=O |
| InChI | InChI | 1.03 | InChI=1S/C6H11NO3/c1-3-5(6(9)10)7-4(2)8/h5H,3H2,1-2H3,(H,7,8)(H,9,10)/t5-/m0/s1 |
| InChIKey | InChI | 1.03 | WZVZUKROCHDMDT-YFKPBYRVSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC[C@H](NC(C)=O)C(O)=O |
| SMILES | CACTVS | 3.385 | CC[CH](NC(C)=O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CC[C@@H](C(=O)O)NC(=O)C |
| SMILES | OpenEye OEToolkits | 2.0.6 | CCC(C(=O)O)NC(=O)C |
