PDB CCD ID: | OPY |
Number of entries in BioLiP: | 4 |
Chemical formula: | C9 H19 N3 O |
InChI: | InChI=1S/C9H19N3O/c10-5-4-8(11)9(13)12-6-2-1-3-7-12/h8H,1-7,10-11H2/t8-/m0/s1 |
InChIKey: | RKBKYSFKXFKBBM-QMMMGPOBSA-N |
SMILES: | Software | SMILES |
---|
CACTVS 3.370 | NCC[C@H](N)C(=O)N1CCCCC1 | ACDLabs 12.01 | O=C(N1CCCCC1)C(N)CCN | CACTVS 3.370 | NCC[CH](N)C(=O)N1CCCCC1 | OpenEye OEToolkits 1.7.0 | C1CCN(CC1)C(=O)C(CCN)N | OpenEye OEToolkits 1.7.0 | C1CCN(CC1)C(=O)[C@H](CCN)N |
|
Name: | (3S)-4-oxo-4-piperidin-1-ylbutane-1,3-diamine; GSK237826A |
ChEMBL: | CHEMBL93505 |
ZINC: | ZINC000013529512 |