PAL
Summary
| Name: | N-(PHOSPHONACETYL)-L-ASPARTIC ACID |
| Formula: | C6 H10 N O8 P |
| Formal charge: | 0 |
| Formula weight: | 255.119 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | N-(phosphonoacetyl)-L-aspartic acid |
| OpenEye OEToolkits | 1.5.0 | (2S)-2-(2-phosphonoethanoylamino)butanedioic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(NC(C(=O)O)CC(=O)O)CP(=O)(O)O |
| SMILES_CANONICAL | CACTVS | 3.341 | OC(=O)C[C@H](NC(=O)C[P](O)(O)=O)C(O)=O |
| SMILES | CACTVS | 3.341 | OC(=O)C[CH](NC(=O)C[P](O)(O)=O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C([C@@H](C(=O)O)NC(=O)CP(=O)(O)O)C(=O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | C(C(C(=O)O)NC(=O)CP(=O)(O)O)C(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C6H10NO8P/c8-4(2-16(13,14)15)7-3(6(11)12)1-5(9)10/h3H,1-2H2,(H,7,8)(H,9,10)(H,11,12)(H2,13,14,15)/t3-/m0/s1 |
| InChIKey | InChI | 1.03 | ZZKNRXZVGOYGJT-VKHMYHEASA-N |
