Q07
Summary
| Name: | [(1R,2S)-1-amino-2-methylpentyl]phosphonic acid |
| Formula: | C6 H16 N O3 P |
| Formal charge: | 0 |
| Formula weight: | 181.17 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | [(1R,2S)-1-amino-2-methylpentyl]phosphonic acid |
| OpenEye OEToolkits | 1.9.2 | [(1R,2S)-1-azanyl-2-methyl-pentyl]phosphonic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=P(O)(O)C(N)C(CCC)C |
| InChI | InChI | 1.03 | InChI=1S/C6H16NO3P/c1-3-4-5(2)6(7)11(8,9)10/h5-6H,3-4,7H2,1-2H3,(H2,8,9,10)/t5-,6+/m0/s1 |
| InChIKey | InChI | 1.03 | AMCULSZUZIHVRH-NTSWFWBYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCC[C@H](C)[C@H](N)[P](O)(O)=O |
| SMILES | CACTVS | 3.385 | CCC[CH](C)[CH](N)[P](O)(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | CCC[C@H](C)[C@H](N)P(=O)(O)O |
| SMILES | OpenEye OEToolkits | 1.9.2 | CCCC(C)C(N)P(=O)(O)O |
