Obsolete: AKL
Summary
| Name: | 3-AMINO-5-CHLORO-4-OXOPENTANOIC ACID |
| Synonyms: | ASPARTIC ACID CHLOROMETHYL KETONE |
| Formula: | C5 H8 Cl N O3 |
| Formal charge: | 0 |
| Formula weight: | 165.575 Da |
| Component type: | L-PEPTIDE LINKING |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (3S)-3-amino-5-chloro-4-oxopentanoic acid |
| OpenEye OEToolkits | 1.5.0 | (3S)-3-amino-5-chloro-4-oxo-pentanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(CCl)C(N)CC(=O)O |
| SMILES_CANONICAL | CACTVS | 3.341 | N[C@@H](CC(O)=O)C(=O)CCl |
| SMILES | CACTVS | 3.341 | N[CH](CC(O)=O)C(=O)CCl |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C([C@@H](C(=O)CCl)N)C(=O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | C(C(C(=O)CCl)N)C(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C5H8ClNO3/c6-2-4(8)3(7)1-5(9)10/h3H,1-2,7H2,(H,9,10)/t3-/m0/s1 |
| InChIKey | InChI | 1.03 | TWRMILSMIZUGQO-VKHMYHEASA-N |
