methyl 5-[(4-methyl-4-oxidanyl-pentan-2-yl)amino]-3-(oxolan-3-ylcarbonylamino)-1-phenethyl-pyrrolo[2,3-b]pyridine-2-carboxylate

Systemtic Name: methyl 5-[(4-methyl-4-oxidanyl-pentan-2-yl)amino]-3-(oxolan-3-ylcarbonylamino)-1-phenethyl-pyrrolo[2,3-b]pyridine-2-carboxylate Openeye Name: methyl 5-[(3-hydroxy-1,3-dimethyl-butyl)amino]-1-phenethyl-3-(tetrahydrofuran-3-carbonylamino)pyrrolo[2,3-b]pyridine-2-carboxylate CAS Name: 5-[(4-hydroxy-4-methylpentan-2-yl)amino]-3-[[oxo(3-oxolanyl)methyl]amino]-1-phenethyl-2-pyrrolo[2,3-b]pyridinecarboxylic acid methyl ester IUPAC Name: methyl 5-[(4-hydroxy-4-methylpentan-2-yl)amino]-3-(oxolane-3-carbonylamino)-1-phenethylpyrrolo[2,3-b]pyridine-2-carboxylate Traditional Name: 5-[(3-hydroxy-1,3-dimethyl-butyl)amino]-1-phenethyl-3-(tetrahydrofuran-3-carbonylamino)pyrrolo[2,3-b]pyridine-2-carboxylic acid methyl ester Formula: C28H36N4O5 MolecularWeight: 508.60924

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(C)(C)O)NC1=CN=C2C(=C1)C(=C(N2CCC3=CC=CC=C3)C(=O)OC)NC(=O)C4CCOC4

Isomeric SMILES

CC(CC(C)(C)O)NC1=CN=C2C(=C1)C(=C(N2CCC3=CC=CC=C3)C(=O)OC)NC(=O)C4CCOC4

InChI

InChI=1S/C28H36N4O5/c1-18(15-28(2,3)35)30-21-14-22-23(31-26(33)20-11-13-37-17-20)24(27(34)36-4)32(25(22)29-16-21)12-10-19-8-6-5-7-9-19/h5-9,14,16,18,20,30,35H,10-13,15,17H2,1-4H3,(H,31,33)