RC5
Summary
| Name: | [(2R)-2-{2-[hydroxy(methyl)amino]-2-oxoethyl}-5-phenylpentyl]phosphonic acid |
| Formula: | C14 H22 N O5 P |
| Formal charge: | 0 |
| Formula weight: | 315.302 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | [(2R)-2-{2-[hydroxy(methyl)amino]-2-oxoethyl}-5-phenylpentyl]phosphonic acid |
| OpenEye OEToolkits | 1.9.2 | [(2R)-2-[2-[methyl(oxidanyl)amino]-2-oxidanylidene-ethyl]-5-phenyl-pentyl]phosphonic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=P(O)(O)CC(CCCc1ccccc1)CC(=O)N(O)C |
| InChI | InChI | 1.03 | InChI=1S/C14H22NO5P/c1-15(17)14(16)10-13(11-21(18,19)20)9-5-8-12-6-3-2-4-7-12/h2-4,6-7,13,17H,5,8-11H2,1H3,(H2,18,19,20)/t13-/m1/s1 |
| InChIKey | InChI | 1.03 | YKRNADVNYIPUET-CYBMUJFWSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN(O)C(=O)C[C@@H](CCCc1ccccc1)C[P](O)(O)=O |
| SMILES | CACTVS | 3.385 | CN(O)C(=O)C[CH](CCCc1ccccc1)C[P](O)(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | CN(C(=O)C[C@@H](CCCc1ccccc1)CP(=O)(O)O)O |
| SMILES | OpenEye OEToolkits | 1.9.2 | CN(C(=O)CC(CCCc1ccccc1)CP(=O)(O)O)O |
