LC5
Summary
| Name: | [(2R)-2-{2-[hydroxy(methyl)amino]-2-oxoethyl}-5-(naphthalen-1-yl)pentyl]phosphonic acid |
| Formula: | C18 H24 N O5 P |
| Formal charge: | 0 |
| Formula weight: | 365.361 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | [(2R)-2-{2-[hydroxy(methyl)amino]-2-oxoethyl}-5-(naphthalen-1-yl)pentyl]phosphonic acid |
| OpenEye OEToolkits | 2.0.4 | [(2~{R})-2-[2-[methyl(oxidanyl)amino]-2-oxidanylidene-ethyl]-5-naphthalen-1-yl-pentyl]phosphonic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(CC(CP(O)(O)=O)CCCc2c1ccccc1ccc2)N(O)C |
| InChI | InChI | 1.03 | InChI=1S/C18H24NO5P/c1-19(21)18(20)12-14(13-25(22,23)24)6-4-8-16-10-5-9-15-7-2-3-11-17(15)16/h2-3,5,7,9-11,14,21H,4,6,8,12-13H2,1H3,(H2,22,23,24)/t14-/m1/s1 |
| InChIKey | InChI | 1.03 | HUBGFLNAUJJVOG-CQSZACIVSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN(O)C(=O)C[C@@H](CCCc1cccc2ccccc12)C[P](O)(O)=O |
| SMILES | CACTVS | 3.385 | CN(O)C(=O)C[CH](CCCc1cccc2ccccc12)C[P](O)(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.4 | CN(C(=O)C[C@@H](CCCc1cccc2c1cccc2)CP(=O)(O)O)O |
| SMILES | OpenEye OEToolkits | 2.0.4 | CN(C(=O)CC(CCCc1cccc2c1cccc2)CP(=O)(O)O)O |
