5HR
Summary
| Name: | [(1R)-1-amino-2-(benzylamino)ethyl]phosphonic acid |
| Formula: | C9 H15 N2 O3 P |
| Formal charge: | 0 |
| Formula weight: | 230.201 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | [(1R)-1-amino-2-(benzylamino)ethyl]phosphonic acid |
| OpenEye OEToolkits | 1.9.2 | [(1R)-1-azanyl-2-[(phenylmethyl)amino]ethyl]phosphonic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | N(Cc1ccccc1)CC(P(=O)(O)O)N |
| InChI | InChI | 1.03 | InChI=1S/C9H15N2O3P/c10-9(15(12,13)14)7-11-6-8-4-2-1-3-5-8/h1-5,9,11H,6-7,10H2,(H2,12,13,14)/t9-/m1/s1 |
| InChIKey | InChI | 1.03 | TYSJLDXCWVWYDI-SECBINFHSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | N[C@@H](CNCc1ccccc1)[P](O)(O)=O |
| SMILES | CACTVS | 3.385 | N[CH](CNCc1ccccc1)[P](O)(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | c1ccc(cc1)CNC[C@H](N)P(=O)(O)O |
| SMILES | OpenEye OEToolkits | 1.9.2 | c1ccc(cc1)CNCC(N)P(=O)(O)O |
