37E
Summary
| Name: | [(1R)-1-amino-2-(cyclohexylamino)ethyl]phosphonic acid |
| Formula: | C8 H19 N2 O3 P |
| Formal charge: | 0 |
| Formula weight: | 222.222 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | [(1R)-1-amino-2-(cyclohexylamino)ethyl]phosphonic acid |
| OpenEye OEToolkits | 1.7.6 | [(1R)-1-azanyl-2-(cyclohexylamino)ethyl]phosphonic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=P(O)(O)C(N)CNC1CCCCC1 |
| InChI | InChI | 1.03 | InChI=1S/C8H19N2O3P/c9-8(14(11,12)13)6-10-7-4-2-1-3-5-7/h7-8,10H,1-6,9H2,(H2,11,12,13)/t8-/m1/s1 |
| InChIKey | InChI | 1.03 | FCNVXOHFLIBILW-MRVPVSSYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | N[C@@H](CNC1CCCCC1)[P](O)(O)=O |
| SMILES | CACTVS | 3.385 | N[CH](CNC1CCCCC1)[P](O)(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | C1CCC(CC1)NC[C@H](N)P(=O)(O)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | C1CCC(CC1)NCC(N)P(=O)(O)O |
