{"PropertyTable":{"Properties":[{"CID":60947,"MolecularFormula":"C22H36N2O5S","MolecularWeight":"440.6","SMILES":"CCCCS(=O)(=O)N[C@@H](CC1=CC=C(C=C1)OCCCCC2CCNCC2)C(=O)O","ConnectivitySMILES":"CCCCS(=O)(=O)NC(CC1=CC=C(C=C1)OCCCCC2CCNCC2)C(=O)O","InChI":"InChI=1S/C22H36N2O5S/c1-2-3-16-30(27,28)24-21(22(25)26)17-19-7-9-20(10-8-19)29-15-5-4-6-18-11-13-23-14-12-18/h7-10,18,21,23-24H,2-6,11-17H2,1H3,(H,25,26)/t21-/m0/s1","InChIKey":"COKMIXFXJJXBQG-NRFANRHFSA-N","ExactMass":"440.23449343","MonoisotopicMass":"440.23449343","TPSA":113,"Charge":0,"HBondDonorCount":3,"HBondAcceptorCount":7,"RotatableBondCount":14,"HeavyAtomCount":30,"Title":"Tirofiban"}]}}