FY0
Summary
| Name: | (2S)-4-(methylamino)-4-oxo-2-[4-(phosphonooxy)benzyl]butanoic acid |
| Formula: | C12 H16 N O7 P |
| Formal charge: | 0 |
| Formula weight: | 317.232 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 1.6.1 | (2S)-4-(methylamino)-4-oxo-2-[(4-phosphonooxyphenyl)methyl]butanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES_CANONICAL | CACTVS | 3.352 | CNC(=O)C[C@H](Cc1ccc(O[P](O)(O)=O)cc1)C(O)=O |
| SMILES | CACTVS | 3.352 | CNC(=O)C[CH](Cc1ccc(O[P](O)(O)=O)cc1)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | CNC(=O)C[C@H](Cc1ccc(cc1)OP(=O)(O)O)C(=O)O |
| SMILES | OpenEye OEToolkits | 1.7.0 | CNC(=O)CC(Cc1ccc(cc1)OP(=O)(O)O)C(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C12H16NO7P/c1-13-11(14)7-9(12(15)16)6-8-2-4-10(5-3-8)20-21(17,18)19/h2-5,9H,6-7H2,1H3,(H,13,14)(H,15,16)(H2,17,18,19)/t9-/m0/s1 |
| InChIKey | InChI | 1.03 | IDTVHJPHANVLIO-VIFPVBQESA-N |
