CTH
Summary
| Name: | 4-CHLOROTHREONINE |
| Formula: | C4 H8 Cl N O3 |
| Formal charge: | 0 |
| Formula weight: | 153.564 Da |
| Component type: | L-PEPTIDE LINKING |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 4-chloro-L-threonine |
| OpenEye OEToolkits | 1.5.0 | (2S,3S)-2-amino-4-chloro-3-hydroxy-butanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)C(N)C(O)CCl |
| SMILES_CANONICAL | CACTVS | 3.341 | N[C@@H]([C@H](O)CCl)C(O)=O |
| SMILES | CACTVS | 3.341 | N[CH]([CH](O)CCl)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C([C@H]([C@@H](C(=O)O)N)O)Cl |
| SMILES | OpenEye OEToolkits | 1.5.0 | C(C(C(C(=O)O)N)O)Cl |
| InChI | InChI | 1.03 | InChI=1S/C4H8ClNO3/c5-1-2(7)3(6)4(8)9/h2-3,7H,1,6H2,(H,8,9)/t2-,3+/m1/s1 |
| InChIKey | InChI | 1.03 | CETUIFTXYGHITB-GBXIJSLDSA-N |
