4CM
Summary
| Name: | (4-CARBAMIMIDOYLPHENYL)-METHYL-PHOSPHINIC ACID |
| Formula: | C8 H11 N2 O2 P |
| Formal charge: | 0 |
| Formula weight: | 198.159 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (R)-(4-carbamimidoylphenyl)methylphosphinic acid |
| OpenEye OEToolkits | 1.5.0 | (4-carbamimidoylphenyl)-methyl-phosphinic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=P(O)(c1ccc(C(=[N@H])N)cc1)C |
| SMILES_CANONICAL | CACTVS | 3.341 | C[P@](O)(=O)c1ccc(cc1)C(N)=N |
| SMILES | CACTVS | 3.341 | C[P](O)(=O)c1ccc(cc1)C(N)=N |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C[P@](=O)(c1ccc(cc1)C(=N)N)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | CP(=O)(c1ccc(cc1)C(=N)N)O |
| InChI | InChI | 1.03 | InChI=1S/C8H11N2O2P/c1-13(11,12)7-4-2-6(3-5-7)8(9)10/h2-5H,1H3,(H3,9,10)(H,11,12) |
| InChIKey | InChI | 1.03 | CVABPMXIKVDCLF-UHFFFAOYSA-N |
