2-[[6-[3-[4-(diphenylmethyl)oxypiperidin-1-yl]propylamino]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]carbonylamino]-2-methyl-propanoic acid

Systemtic Name: 2-[[6-[3-[4-(diphenylmethyl)oxypiperidin-1-yl]propylamino]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]carbonylamino]-2-methyl-propanoic acid Openeye Name: 2-[[6-[3-(4-benzhydryloxy-1-piperidyl)propylamino]-[1,2,4]triazolo[4,3-b]pyridazine-3-carbonyl]amino]-2-methyl-propanoic acid CAS Name: 2-[[[6-[3-[4-(diphenylmethyl)oxy-1-piperidinyl]propylamino]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-oxomethyl]amino]-2-methylpropanoic acid IUPAC Name: 2-[[6-[3-(4-benzhydryloxypiperidin-1-yl)propylamino]-[1,2,4]triazolo[4,3-b]pyridazine-3-carbonyl]amino]-2-methylpropanoic acid Traditional Name: 2-[[6-[3-(4-benzhydryloxypiperidino)propylamino]-[1,2,4]triazolo[4,3-b]pyridazine-3-carbonyl]amino]-2-methyl-propionic acid Formula: C31H37N7O4 MolecularWeight: 571.66998

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)O)NC(=O)C1=NN=C2N1N=C(C=C2)NCCCN3CCC(CC3)OC(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CC(C)(C(=O)O)NC(=O)C1=NN=C2N1N=C(C=C2)NCCCN3CCC(CC3)OC(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C31H37N7O4/c1-31(2,30(40)41)33-29(39)28-35-34-26-15-14-25(36-38(26)28)32-18-9-19-37-20-16-24(17-21-37)42-27(22-10-5-3-6-11-22)23-12-7-4-8-13-23/h3-8,10-15,24,27H,9,16-21H2,1-2H3,(H,32,36)(H,33,39)(H,40,41)