2X0
Summary
| Name: | [(1R)-1-amino-3-phenylpropyl]phosphonic acid |
| Formula: | C9 H14 N O3 P |
| Formal charge: | 0 |
| Formula weight: | 215.186 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | [(1R)-1-amino-3-phenylpropyl]phosphonic acid |
| OpenEye OEToolkits | 1.7.6 | [(1R)-1-azanyl-3-phenyl-propyl]phosphonic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=P(O)(O)C(N)CCc1ccccc1 |
| InChI | InChI | 1.03 | InChI=1S/C9H14NO3P/c10-9(14(11,12)13)7-6-8-4-2-1-3-5-8/h1-5,9H,6-7,10H2,(H2,11,12,13)/t9-/m1/s1 |
| InChIKey | InChI | 1.03 | NAPHUBPIUWHFCT-SECBINFHSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | N[C@@H](CCc1ccccc1)[P](O)(O)=O |
| SMILES | CACTVS | 3.385 | N[CH](CCc1ccccc1)[P](O)(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1ccc(cc1)CC[C@H](N)P(=O)(O)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1ccc(cc1)CCC(N)P(=O)(O)O |
