| PDB CCD ID: | W2Y |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C8 H16 N2 O3 S |
| InChI: | InChI=1S/C8H16N2O3S/c1-6-7(8(9)11)4-3-5-10(6)14(2,12)13/h6-7H,3-5H2,1-2H3,(H2,9,11)/t6-,7-/m0/s1 |
| InChIKey: | ZHLDXLSBRBBGSZ-BQBZGAKWSA-N |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.385 | C[CH]1[CH](CCCN1[S](C)(=O)=O)C(N)=O | | ACDLabs 12.01 | NC(C1CCCN(S(C)(=O)=O)C1C)=O | | OpenEye OEToolkits 2.0.7 | C[C@H]1[C@H](CCCN1S(=O)(=O)C)C(=O)N | | CACTVS 3.385 | C[C@H]1[C@H](CCCN1[S](C)(=O)=O)C(N)=O | | OpenEye OEToolkits 2.0.7 | CC1C(CCCN1S(=O)(=O)C)C(=O)N |
|
| Name: | (2S,3S)-2-methyl-1-(methylsulfonyl)piperidine-3-carboxamide |
zhanggroup.org