ASL
Summary
| Name: | ASPARTIC ACID-4-CARBOXYETHYL ESTER |
| Formula: | C7 H11 N O6 |
| Formal charge: | 0 |
| Formula weight: | 205.165 Da |
| Component type: | L-PEPTIDE LINKING |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2-amino-4-(1-carboxyethoxy)-4-oxobutanoic acid (non-preferred name) |
| OpenEye OEToolkits | 1.7.6 | 2-azanyl-4-oxidanylidene-4-(1-oxidanyl-1-oxidanylidene-propan-2-yl)oxy-butanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(OC(C(=O)O)C)CC(C(=O)O)N |
| InChI | InChI | 1.03 | InChI=1S/C7H11NO6/c1-3(6(10)11)14-5(9)2-4(8)7(12)13/h3-4H,2,8H2,1H3,(H,10,11)(H,12,13) |
| InChIKey | InChI | 1.03 | CWUGTWXZZHPDGI-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | CC(OC(=O)CC(N)C(O)=O)C(O)=O |
| SMILES | CACTVS | 3.370 | CC(OC(=O)CC(N)C(O)=O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CC(C(=O)O)OC(=O)CC(C(=O)O)N |
| SMILES | OpenEye OEToolkits | 1.7.6 | CC(C(=O)O)OC(=O)CC(C(=O)O)N |
