PDB CCD ID: | S9G |
Number of entries in BioLiP: | 1 |
Chemical formula: | C13 H20 N2 O3 |
InChI: | InChI=1S/C13H20N2O3/c16-12(10-3-4-10)14-5-7-15(8-6-14)13(17)11-2-1-9-18-11/h10-11H,1-9H2/t11-/m0/s1 |
InChIKey: | RBEMQVNGNRWSFG-NSHDSACASA-N |
SMILES: | Software | SMILES |
---|
CACTVS 3.385 | O=C(C1CC1)N2CCN(CC2)C(=O)[C@@H]3CCCO3 | OpenEye OEToolkits 2.0.6 | C1CC(OC1)C(=O)N2CCN(CC2)C(=O)C3CC3 | CACTVS 3.385 | O=C(C1CC1)N2CCN(CC2)C(=O)[CH]3CCCO3 | OpenEye OEToolkits 2.0.6 | C1C[C@H](OC1)C(=O)N2CCN(CC2)C(=O)C3CC3 |
|
Name: | cyclopropyl-[4-[(2~{S})-oxolan-2-yl]carbonylpiperazin-1-yl]methanone |
ZINC: | ZINC000041245151 |