PDB CCD ID: | 157 |
Number of entries in BioLiP: | 1 |
Chemical formula: | C12 H22 N2 O2 |
InChI: | InChI=1S/C12H22N2O2/c13-12(14)7-2-1-4-9(8-15)10-5-3-6-11(10)16/h8-11,16H,1-7H2,(H3,13,14)/t9-,10+,11-/m0/s1 |
InChIKey: | FCDJKFJACUMSOZ-AXFHLTTASA-N |
SMILES: | Software | SMILES |
---|
OpenEye OEToolkits 1.5.0 | C1CC(C(C1)O)C(CCCCC(=N)N)C=O | ACDLabs 10.04 | O=CC(CCCCC(=[N@H])N)C1CCCC1O | CACTVS 3.341 | NC(=N)CCCC[CH](C=O)[CH]1CCC[CH]1O | CACTVS 3.341 | NC(=N)CCCC[C@@H](C=O)[C@H]1CCC[C@@H]1O | OpenEye OEToolkits 1.5.0 | C1C[C@@H]([C@H](C1)O)[C@@H](CCCCC(=N)N)C=O |
|
Name: | 6-(2-HYDROXY-CYCLOPENTYL)-7-OXO-HEPTANAMIDINE; GR157368 |
ChEMBL: | CHEMBL1229657 |
DrugBank: | DB06861 |
ZINC: | ZINC000015894724 |