MVH
Summary
| Name: | methyl [4-(methylamino)-4-oxidanylidene-but-2-en-2-yl] hydrogen phosphate |
| Formula: | C6 H12 N O5 P |
| Formal charge: | 0 |
| Formula weight: | 209.137 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | methyl (2E)-4-(methylamino)-4-oxobut-2-en-2-yl hydrogen (S)-phosphate |
| OpenEye OEToolkits | 1.7.6 | methyl [4-(methylamino)-4-oxidanylidene-but-2-en-2-yl] hydrogen phosphate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=P(OC)(O\C(=C/C(=O)NC)C)O |
| InChI | InChI | 1.03 | InChI=1S/C6H12NO5P/c1-5(4-6(8)7-2)12-13(9,10)11-3/h4H,1-3H3,(H,7,8)(H,9,10)/b5-4+ |
| InChIKey | InChI | 1.03 | SBZAFHSOQLENTI-SNAWJCMRSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | CNC(=O)/C=C(C)/O[P](O)(=O)OC |
| SMILES | CACTVS | 3.370 | CNC(=O)C=C(C)O[P](O)(=O)OC |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CC(=CC(=O)NC)OP(=O)(O)OC |
| SMILES | OpenEye OEToolkits | 1.7.6 | CC(=CC(=O)NC)OP(=O)(O)OC |
