HTN
Summary
| Name: | (3R)-3-hydroxy-N-methyl-D-asparagine |
| Formula: | C5 H10 N2 O4 |
| Formal charge: | 0 |
| Formula weight: | 162.144 Da |
| Component type: | D-peptide linking |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (3R)-3-hydroxy-N-methyl-D-asparagine |
| OpenEye OEToolkits | 1.5.0 | (2R,3R)-2-amino-3-hydroxy-4-methylamino-4-oxo-butanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(NC)C(O)C(C(=O)O)N |
| SMILES_CANONICAL | CACTVS | 3.341 | CNC(=O)[C@H](O)[C@@H](N)C(O)=O |
| SMILES | CACTVS | 3.341 | CNC(=O)[CH](O)[CH](N)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CNC(=O)[C@@H]([C@H](C(=O)O)N)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | CNC(=O)C(C(C(=O)O)N)O |
| InChI | InChI | 1.03 | InChI=1S/C5H10N2O4/c1-7-4(9)3(8)2(6)5(10)11/h2-3,8H,6H2,1H3,(H,7,9)(H,10,11)/t2-,3-/m1/s1 |
| InChIKey | InChI | 1.03 | GZWUZRUMLUBXRQ-PWNYCUMCSA-N |
