tert-butyl 2-[4-[(5-carbamimidoylfuro[2,3-b]pyridin-2-yl)carbonylamino]cyclohexyl]oxyethanoate

Systemtic Name: tert-butyl 2-[4-[(5-carbamimidoylfuro[2,3-b]pyridin-2-yl)carbonylamino]cyclohexyl]oxyethanoate Openeye Name: tert-butyl 2-[4-[(5-carbamimidoylfuro[2,3-b]pyridine-2-carbonyl)amino]cyclohexoxy]acetate CAS Name: 2-[4-[[(5-carbamimidoyl-2-furo[2,3-b]pyridinyl)-oxomethyl]amino]cyclohexyl]oxyacetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[4-[(5-carbamimidoylfuro[2,3-b]pyridine-2-carbonyl)amino]cyclohexyl]oxyacetate Traditional Name: 2-[4-[(5-amidinofuro[2,3-b]pyridine-2-carbonyl)amino]cyclohexoxy]acetic acid tert-butyl ester Formula: C21H28N4O5 MolecularWeight: 416.47082

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)COC1CCC(CC1)NC(=O)C2=CC3=CC(=CN=C3O2)C(=N)N

Isomeric SMILES

CC(C)(C)OC(=O)COC1CCC(CC1)NC(=O)C2=CC3=CC(=CN=C3O2)C(=N)N

InChI

InChI=1S/C21H28N4O5/c1-21(2,3)30-17(26)11-28-15-6-4-14(5-7-15)25-19(27)16-9-12-8-13(18(22)23)10-24-20(12)29-16/h8-10,14-15H,4-7,11H2,1-3H3,(H3,22,23)(H,25,27)