YD5
Summary
| Name: | N-(2-carboxyethyl)-L-alanine |
| Formula: | C6 H11 N O4 |
| Formal charge: | 0 |
| Formula weight: | 161.156 Da |
| Component type: | L-peptide linking |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-(2-carboxyethyl)-L-alanine |
| OpenEye OEToolkits | 2.0.7 | (2~{S})-2-(3-hydroxy-3-oxopropylamino)propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | OC(=O)CCNC(C)C(=O)O |
| InChI | InChI | 1.06 | InChI=1S/C6H11NO4/c1-4(6(10)11)7-3-2-5(8)9/h4,7H,2-3H2,1H3,(H,8,9)(H,10,11)/t4-/m0/s1 |
| InChIKey | InChI | 1.06 | OAWHMSFCLIYBHE-BYPYZUCNSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@H](NCCC(O)=O)C(O)=O |
| SMILES | CACTVS | 3.385 | C[CH](NCCC(O)=O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@@H](C(=O)O)NCCC(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(C(=O)O)NCCC(=O)O |
