L56
Summary
| Name: | [(2R)-2-{2-[hydroxy(methyl)amino]-2-oxoethyl}-5-(3-methylphenyl)pentyl]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}-5-(3-methylphenyl)pentyl]phosphonic acid |
| OpenEye OEToolkits | 2.0.4 | [(2~{R})-2-[2-[methyl(oxidanyl)amino]-2-oxidanylidene-ethyl]-5-(3-methylphenyl)pentyl]phosphonic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=P(O)(O)CC(CC(=O)N(C)O)CCCc1cc(ccc1)C |
| InChI | InChI | 1.03 | InChI=1S/C15H24NO5P/c1-12-5-3-6-13(9-12)7-4-8-14(11-22(19,20)21)10-15(17)16(2)18/h3,5-6,9,14,18H,4,7-8,10-11H2,1-2H3,(H2,19,20,21)/t14-/m1/s1 |
| InChIKey | InChI | 1.03 | LKGTWQXFDFYGBW-CQSZACIVSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN(O)C(=O)C[C@@H](CCCc1cccc(C)c1)C[P](O)(O)=O |
| SMILES | CACTVS | 3.385 | CN(O)C(=O)C[CH](CCCc1cccc(C)c1)C[P](O)(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.4 | Cc1cccc(c1)CCC[C@H](CC(=O)N(C)O)CP(=O)(O)O |
| SMILES | OpenEye OEToolkits | 2.0.4 | Cc1cccc(c1)CCCC(CC(=O)N(C)O)CP(=O)(O)O |
