PDB CCD ID: | 5BV |
Number of entries in BioLiP: | 0 |
Chemical formula: | C12 H23 N O4 |
InChI: | 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: | UBRONVWKPIWEHT-NXEZZACHSA-N |
SMILES: | Software | SMILES |
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CACTVS 3.385 | CCCCCC[CH](OC(=O)CN)[CH](C)C(O)=O | OpenEye OEToolkits 1.9.2 | CCCCCCC(C(C)C(=O)O)OC(=O)CN | CACTVS 3.385 | CCCCCC[C@@H](OC(=O)CN)[C@@H](C)C(O)=O | ACDLabs 12.01 | O=C(OC(C(C)C(=O)O)CCCCCC)CN | OpenEye OEToolkits 1.9.2 | CCCCCC[C@H]([C@@H](C)C(=O)O)OC(=O)CN |
|
Name: | (2R,3R)-3-(glycyloxy)-2-methylnonanoic acid |
ZINC: | ZINC000584904933 |