R77
Summary
| Name: | [(2R)-2-{2-[hydroxy(methyl)amino]-2-oxoethyl}-6-phenylhexyl]phosphonic acid |
| Formula: | C15 H24 N O5 P |
| Formal charge: | 0 |
| Formula weight: | 329.329 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | [(2R)-2-{2-[hydroxy(methyl)amino]-2-oxoethyl}-6-phenylhexyl]phosphonic acid |
| OpenEye OEToolkits | 1.9.2 | [(2R)-2-[2-[methyl(oxidanyl)amino]-2-oxidanylidene-ethyl]-6-phenyl-hexyl]phosphonic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=P(O)(O)CC(CC(=O)N(O)C)CCCCc1ccccc1 |
| InChI | InChI | 1.03 | InChI=1S/C15H24NO5P/c1-16(18)15(17)11-14(12-22(19,20)21)10-6-5-9-13-7-3-2-4-8-13/h2-4,7-8,14,18H,5-6,9-12H2,1H3,(H2,19,20,21)/t14-/m1/s1 |
| InChIKey | InChI | 1.03 | FWCPRMVLUHPTMF-CQSZACIVSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN(O)C(=O)C[C@@H](CCCCc1ccccc1)C[P](O)(O)=O |
| SMILES | CACTVS | 3.385 | CN(O)C(=O)C[CH](CCCCc1ccccc1)C[P](O)(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | CN(C(=O)C[C@@H](CCCCc1ccccc1)CP(=O)(O)O)O |
| SMILES | OpenEye OEToolkits | 1.9.2 | CN(C(=O)CC(CCCCc1ccccc1)CP(=O)(O)O)O |
