PDB CCD ID: | 4SF |
Number of entries in BioLiP: | 0 |
Chemical formula: | C9 H17 N O2 |
InChI: | InChI=1S/C9H17NO2/c1-6(2)8(10-4)5-7(3)9(11)12/h5-6,8,10H,1-4H3,(H,11,12)/b7-5-/t8-/m1/s1 |
InChIKey: | BXJVQBBLPBXDAY-GRKOMRHMSA-N |
SMILES: | Software | SMILES |
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OpenEye OEToolkits 1.9.2 | CC(C)[C@@H](/C=C(/C)\C(=O)O)NC | OpenEye OEToolkits 1.9.2 | CC(C)C(C=C(C)C(=O)O)NC | CACTVS 3.385 | CN[CH](C=C(C)C(O)=O)C(C)C | CACTVS 3.385 | CN[C@H](\C=C(C)/C(O)=O)C(C)C | ACDLabs 12.01 | C(C(C)C)(/C=C(\C(=O)O)C)NC |
|
Name: | (2Z,4S)-2,5-dimethyl-4-(methylamino)hex-2-enoic acid |
ZINC: | ZINC000146405646 |