{"PropertyTable":{"Properties":[{"CID":176873,"MolecularFormula":"C27H40N8O7","MolecularWeight":"588.7","SMILES":"CC(C)[C@H]1C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](C(=O)N1C)CC2=CC=CC=C2)CC(=O)O)CCCN=C(N)N","ConnectivitySMILES":"CC(C)C1C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)N1C)CC2=CC=CC=C2)CC(=O)O)CCCN=C(N)N","InChI":"InChI=1S/C27H40N8O7/c1-15(2)22-25(41)33-17(10-7-11-30-27(28)29)23(39)31-14-20(36)32-18(13-21(37)38)24(40)34-19(26(42)35(22)3)12-16-8-5-4-6-9-16/h4-6,8-9,15,17-19,22H,7,10-14H2,1-3H3,(H,31,39)(H,32,36)(H,33,41)(H,34,40)(H,37,38)(H4,28,29,30)/t17-,18-,19+,22-/m0/s1","InChIKey":"AMLYAMJWYAIXIA-VWNVYAMZSA-N","ExactMass":"588.30199564","MonoisotopicMass":"588.30199564","TPSA":238,"Charge":0,"HBondDonorCount":7,"HBondAcceptorCount":8,"RotatableBondCount":9,"HeavyAtomCount":42,"Title":"Cilengitide"}]}}