LC7
Summary
| Name: | [(2R)-5-(3-fluorophenyl)-2-{2-[hydroxy(methyl)amino]-2-oxoethyl}pentyl]phosphonic acid |
| Formula: | C14 H21 F N O5 P |
| Formal charge: | 0 |
| Formula weight: | 333.292 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | [(2R)-5-(3-fluorophenyl)-2-{2-[hydroxy(methyl)amino]-2-oxoethyl}pentyl]phosphonic acid |
| OpenEye OEToolkits | 2.0.4 | [(2~{R})-5-(3-fluorophenyl)-2-[2-[methyl(oxidanyl)amino]-2-oxidanylidene-ethyl]pentyl]phosphonic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(CC(CP(O)(O)=O)CCCc1cc(ccc1)F)N(O)C |
| InChI | InChI | 1.03 | InChI=1S/C14H21FNO5P/c1-16(18)14(17)9-12(10-22(19,20)21)6-2-4-11-5-3-7-13(15)8-11/h3,5,7-8,12,18H,2,4,6,9-10H2,1H3,(H2,19,20,21)/t12-/m1/s1 |
| InChIKey | InChI | 1.03 | HGIGLZBKPPPKTL-GFCCVEGCSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN(O)C(=O)C[C@@H](CCCc1cccc(F)c1)C[P](O)(O)=O |
| SMILES | CACTVS | 3.385 | CN(O)C(=O)C[CH](CCCc1cccc(F)c1)C[P](O)(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.4 | CN(C(=O)C[C@@H](CCCc1cccc(c1)F)CP(=O)(O)O)O |
| SMILES | OpenEye OEToolkits | 2.0.4 | CN(C(=O)CC(CCCc1cccc(c1)F)CP(=O)(O)O)O |
