T9M
Summary
| Name: | N~2~-acetyl-N-prop-2-en-1-yl-D-allothreoninamide |
| Formula: | C9 H16 N2 O3 |
| Formal charge: | 0 |
| Formula weight: | 200.235 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N~2~-acetyl-N-prop-2-en-1-yl-D-allothreoninamide |
| OpenEye OEToolkits | 2.0.7 | (2~{R},3~{R})-2-acetamido-3-oxidanyl-~{N}-prop-2-enyl-butanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | N(C(C)=O)C(C(=O)NC\C=C)C(C)O |
| InChI | InChI | 1.03 | InChI=1S/C9H16N2O3/c1-4-5-10-9(14)8(6(2)12)11-7(3)13/h4,6,8,12H,1,5H2,2-3H3,(H,10,14)(H,11,13)/t6-,8+/m0/s1 |
| InChIKey | InChI | 1.03 | STYVOOMPCLDYII-POYBYMJQSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@@H](O)[C@@H](NC(C)=O)C(=O)NCC=C |
| SMILES | CACTVS | 3.385 | C[CH](O)[CH](NC(C)=O)C(=O)NCC=C |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@H]([C@H](C(=O)NCC=C)NC(=O)C)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(C(C(=O)NCC=C)NC(=O)C)O |
