1OS
Summary
| Name: | [(R)-amino(4-carbamimidoylphenyl)methyl]phosphonic acid |
| Formula: | C8 H12 N3 O3 P |
| Formal charge: | 0 |
| Formula weight: | 229.173 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | [(R)-amino(4-carbamimidoylphenyl)methyl]phosphonic acid |
| OpenEye OEToolkits | 1.7.6 | [(R)-azanyl-(4-carbamimidoylphenyl)methyl]phosphonic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=P(O)(O)C(N)c1ccc(cc1)C(=[N@H])N |
| InChI | InChI | 1.03 | InChI=1S/C8H12N3O3P/c9-7(10)5-1-3-6(4-2-5)8(11)15(12,13)14/h1-4,8H,11H2,(H3,9,10)(H2,12,13,14)/t8-/m1/s1 |
| InChIKey | InChI | 1.03 | FMFJDMQBKYAGQW-MRVPVSSYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | N[C@@H](c1ccc(cc1)C(N)=N)[P](O)(O)=O |
| SMILES | CACTVS | 3.370 | N[CH](c1ccc(cc1)C(N)=N)[P](O)(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | [H]/N=C(\c1ccc(cc1)[C@H](N)P(=O)(O)O)/N |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1cc(ccc1C(N)P(=O)(O)O)C(=N)N |
