ZTK
Summary
| Name: | (2S)-2-amino-3-cyanopropanoic acid |
| Formula: | C4 H6 N2 O2 |
| Formal charge: | 0 |
| Formula weight: | 114.103 Da |
| Component type: | L-peptide linking |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2S)-2-amino-3-cyanopropanoic acid |
| OpenEye OEToolkits | 2.0.7 | (2~{S})-2-azanyl-3-cyano-propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | N#CCC(N)C(=O)O |
| InChI | InChI | 1.06 | InChI=1S/C4H6N2O2/c5-2-1-3(6)4(7)8/h3H,1,6H2,(H,7,8)/t3-/m0/s1 |
| InChIKey | InChI | 1.06 | BXRLWGXPSRYJDZ-VKHMYHEASA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | N[C@@H](CC#N)C(O)=O |
| SMILES | CACTVS | 3.385 | N[CH](CC#N)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C(C#N)[C@@H](C(=O)O)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | C(C#N)C(C(=O)O)N |
