5BV
Summary
| Name: | (2R,3R)-3-(glycyloxy)-2-methylnonanoic acid |
| Formula: | C12 H23 N O4 |
| Formal charge: | 0 |
| Formula weight: | 245.315 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2R,3R)-3-(glycyloxy)-2-methylnonanoic acid |
| OpenEye OEToolkits | 1.9.2 | (2R,3R)-3-(2-azanylethanoyloxy)-2-methyl-nonanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(OC(C(C)C(=O)O)CCCCCC)CN |
| InChI | InChI | 1.03 | InChI=1S/C12H23NO4/c1-3-4-5-6-7-10(9(2)12(15)16)17-11(14)8-13/h9-10H,3-8,13H2,1-2H3,(H,15,16)/t9-,10-/m1/s1 |
| InChIKey | InChI | 1.03 | UBRONVWKPIWEHT-NXEZZACHSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCCCCC[C@@H](OC(=O)CN)[C@@H](C)C(O)=O |
| SMILES | CACTVS | 3.385 | CCCCCC[CH](OC(=O)CN)[CH](C)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | CCCCCC[C@H]([C@@H](C)C(=O)O)OC(=O)CN |
| SMILES | OpenEye OEToolkits | 1.9.2 | CCCCCCC(C(C)C(=O)O)OC(=O)CN |
