23P
Summary
| Name: | 3-(propanoylamino)-L-alanine |
| Formula: | C6 H12 N2 O3 |
| Formal charge: | 0 |
| Formula weight: | 160.171 Da |
| Component type: | L-PEPTIDE LINKING |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 3-(propanoylamino)-L-alanine |
| OpenEye OEToolkits | 1.7.6 | (2S)-2-azanyl-3-(propanoylamino)propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(NCC(N)C(=O)O)CC |
| InChI | InChI | 1.03 | InChI=1S/C6H12N2O3/c1-2-5(9)8-3-4(7)6(10)11/h4H,2-3,7H2,1H3,(H,8,9)(H,10,11)/t4-/m0/s1 |
| InChIKey | InChI | 1.03 | NTSNWEHPHPMOGR-BYPYZUCNSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | CCC(=O)NC[C@H](N)C(O)=O |
| SMILES | CACTVS | 3.370 | CCC(=O)NC[CH](N)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CCC(=O)NC[C@@H](C(=O)O)N |
| SMILES | OpenEye OEToolkits | 1.7.6 | CCC(=O)NCC(C(=O)O)N |
