| PDB CCD ID: | AQ7 |
| Number of entries in BioLiP: | 0 |
| Chemical formula: | C12 H20 N2 O4 |
| InChI: | InChI=1S/C12H20N2O4/c1-3-10(15)14-6-4-5-9(7-14)11(16)13-8(2)12(17)18/h8-9H,3-7H2,1-2H3,(H,13,16)(H,17,18)/t8-,9+/m0/s1 |
| InChIKey: | HQZBKHPGGGAOQQ-DTWKUNHWSA-N |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.385 | CCC(=O)N1CCC[CH](C1)C(=O)N[CH](C)C(O)=O | | OpenEye OEToolkits 2.0.6 | CCC(=O)N1CCC[C@H](C1)C(=O)N[C@@H](C)C(=O)O | | CACTVS 3.385 | CCC(=O)N1CCC[C@H](C1)C(=O)N[C@@H](C)C(O)=O | | OpenEye OEToolkits 2.0.6 | CCC(=O)N1CCCC(C1)C(=O)NC(C)C(=O)O | | ACDLabs 12.01 | C(=O)(CC)N1CC(C(NC(C)C(=O)O)=O)CCC1 |
|
| Name: | N-[(3R)-1-propanoylpiperidine-3-carbonyl]-L-alanine;
N-[(3R)-1-acryloylpiperidine-3-carbonyl]-L-alanine, bound form |
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