KF2
Summary
| Name: | [(1~{R})-1-azanyl-3-phenyl-propyl]-[(2~{S})-2-methanoyl-4-methyl-pentyl]phosphinic acid |
| Formula: | C16 H26 N O3 P |
| Formal charge: | 0 |
| Formula weight: | 311.356 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | [(1~{R})-1-azanyl-3-phenyl-propyl]-[(2~{S})-2-methanoyl-4-methyl-pentyl]phosphinic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C16H26NO3P/c1-13(2)10-15(11-18)12-21(19,20)16(17)9-8-14-6-4-3-5-7-14/h3-7,11,13,15-16H,8-10,12,17H2,1-2H3,(H,19,20)/t15-,16+/m0/s1 |
| InChIKey | InChI | 1.03 | BKGUIDRBICTAMS-JKSUJKDBSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)C[C@H](C[P](O)(=O)[C@@H](N)CCc1ccccc1)C=O |
| SMILES | CACTVS | 3.385 | CC(C)C[CH](C[P](O)(=O)[CH](N)CCc1ccccc1)C=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(C)C[C@H](CP(=O)([C@H](CCc1ccccc1)N)O)C=O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(C)CC(CP(=O)(C(CCc1ccccc1)N)O)C=O |
