0AK
Summary
| Name: | (2S)-2-amino-4-(2-chloroethoxy)-4-oxobutanoic acid |
| Formula: | C6 H10 Cl N O4 |
| Formal charge: | 0 |
| Formula weight: | 195.601 Da |
| Component type: | L-PEPTIDE LINKING |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (2S)-2-amino-4-(2-chloroethoxy)-4-oxobutanoic acid (non-preferred name) |
| OpenEye OEToolkits | 1.5.0 | (2S)-2-amino-4-(2-chloroethoxy)-4-oxo-butanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(OCCCl)CC(N)C(=O)O |
| SMILES_CANONICAL | CACTVS | 3.341 | N[C@@H](CC(=O)OCCCl)C(O)=O |
| SMILES | CACTVS | 3.341 | N[CH](CC(=O)OCCCl)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C(CCl)OC(=O)C[C@@H](C(=O)O)N |
| SMILES | OpenEye OEToolkits | 1.5.0 | C(CCl)OC(=O)CC(C(=O)O)N |
| InChI | InChI | 1.03 | InChI=1S/C6H10ClNO4/c7-1-2-12-5(9)3-4(8)6(10)11/h4H,1-3,8H2,(H,10,11)/t4-/m0/s1 |
| InChIKey | InChI | 1.03 | TZDZYSQZECUBEP-BYPYZUCNSA-N |
