2TL
Summary
Name: | D-allothreonine |
Formula: | C4 H9 N O3 |
Formal charge: | 0 |
Formula weight: | 119.119 Da |
Component type: | D-peptide linking |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 10.04 | D-allothreonine |
OpenEye OEToolkits | 1.5.0 | (2R,3R)-2-amino-3-hydroxy-butanoic acid |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C(O)C(N)C(O)C |
SMILES_CANONICAL | CACTVS | 3.341 | C[C@@H](O)[C@@H](N)C(O)=O |
SMILES | CACTVS | 3.341 | C[CH](O)[CH](N)C(O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C[C@H]([C@H](C(=O)O)N)O |
SMILES | OpenEye OEToolkits | 1.5.0 | CC(C(C(=O)O)N)O |
InChI | InChI | 1.03 | InChI=1S/C4H9NO3/c1-2(6)3(5)4(7)8/h2-3,6H,5H2,1H3,(H,7,8)/t2-,3-/m1/s1 |
InChIKey | InChI | 1.03 | AYFVYJQAPQTCCC-PWNYCUMCSA-N |