ASB
Summary
| Name: | ASPARTIC ACID-4-CARBOXYMETHYL ESTER |
| Formula: | C6 H9 N O6 |
| Formal charge: | 0 |
| Formula weight: | 191.139 Da |
| Component type: | L-PEPTIDE LINKING |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (2S)-2-amino-4-(carboxymethoxy)-4-oxobutanoic acid (non-preferred name) |
| OpenEye OEToolkits | 1.5.0 | (2S)-2-amino-4-(carboxymethyloxy)-4-oxo-butanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(OCC(=O)O)CC(C(=O)O)N |
| SMILES_CANONICAL | CACTVS | 3.341 | N[C@@H](CC(=O)OCC(O)=O)C(O)=O |
| SMILES | CACTVS | 3.341 | N[CH](CC(=O)OCC(O)=O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C([C@@H](C(=O)O)N)C(=O)OCC(=O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | C(C(C(=O)O)N)C(=O)OCC(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C6H9NO6/c7-3(6(11)12)1-5(10)13-2-4(8)9/h3H,1-2,7H2,(H,8,9)(H,11,12)/t3-/m0/s1 |
| InChIKey | InChI | 1.03 | VYJCBTPDYBSANG-VKHMYHEASA-N |
