3-[4-[[2-[(4-azanylcyclohexyl)amino]-9-cyclopentyl-purin-6-yl]amino]piperidin-1-yl]-3-oxidanylidene-propanoic acid

Systemtic Name: 3-[4-[[2-[(4-azanylcyclohexyl)amino]-9-cyclopentyl-purin-6-yl]amino]piperidin-1-yl]-3-oxidanylidene-propanoic acid Openeye Name: 3-[4-[[2-[(4-aminocyclohexyl)amino]-9-cyclopentyl-purin-6-yl]amino]-1-piperidyl]-3-oxo-propanoic acid CAS Name: 3-[4-[[2-[(4-aminocyclohexyl)amino]-9-cyclopentyl-6-purinyl]amino]-1-piperidinyl]-3-oxopropanoic acid IUPAC Name: 3-[4-[[2-[(4-aminocyclohexyl)amino]-9-cyclopentylpurin-6-yl]amino]piperidin-1-yl]-3-oxopropanoic acid Traditional Name: 3-[4-[[2-[(4-aminocyclohexyl)amino]-9-cyclopentyl-purin-6-yl]amino]piperidino]-3-keto-propionic acid Formula: C24H36N8O3 MolecularWeight: 484.59444

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2C=NC3=C2N=C(N=C3NC4CCN(CC4)C(=O)CC(=O)O)NC5CCC(CC5)N

Isomeric SMILES

C1CCC(C1)N2C=NC3=C2N=C(N=C3NC4CCN(CC4)C(=O)CC(=O)O)NC5CCC(CC5)N

InChI

InChI=1S/C24H36N8O3/c25-15-5-7-16(8-6-15)28-24-29-22(21-23(30-24)32(14-26-21)18-3-1-2-4-18)27-17-9-11-31(12-10-17)19(33)13-20(34)35/h14-18H,1-13,25H2,(H,34,35)(H2,27,28,29,30)