4SQ
Summary
| Name: | tetraglycine phosphinate |
| Formula: | C8 H16 N3 O6 P |
| Formal charge: | 0 |
| Formula weight: | 281.203 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-{3-[(R)-[(glycylamino)methyl](hydroxy)phosphoryl]propanoyl}glycine |
| OpenEye OEToolkits | 1.9.2 | 2-[3-[(2-azanylethanoylamino)methyl-oxidanyl-phosphoryl]propanoylamino]ethanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C(O)(CNC(CCP(CNC(CN)=O)(O)=O)=O)=O |
| InChI | InChI | 1.03 | InChI=1S/C8H16N3O6P/c9-3-7(13)11-5-18(16,17)2-1-6(12)10-4-8(14)15/h1-5,9H2,(H,10,12)(H,11,13)(H,14,15)(H,16,17) |
| InChIKey | InChI | 1.03 | UENGEQFXYOYUEI-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NCC(=O)NC[P](O)(=O)CCC(=O)NCC(O)=O |
| SMILES | CACTVS | 3.385 | NCC(=O)NC[P](O)(=O)CCC(=O)NCC(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | C(CP(=O)(CNC(=O)CN)O)C(=O)NCC(=O)O |
| SMILES | OpenEye OEToolkits | 1.9.2 | C(CP(=O)(CNC(=O)CN)O)C(=O)NCC(=O)O |
