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

Systemtic Name: methyl 5-[(3-methyl-3-oxidanyl-butan-2-yl)amino]-3-(oxolan-2-ylcarbonylamino)-1-phenethyl-pyrrolo[2,3-b]pyridine-2-carboxylate Openeye Name: methyl 5-[(2-hydroxy-1,2-dimethyl-propyl)amino]-1-phenethyl-3-(tetrahydrofuran-2-carbonylamino)pyrrolo[2,3-b]pyridine-2-carboxylate CAS Name: 5-[(3-hydroxy-3-methylbutan-2-yl)amino]-3-[[oxo(2-oxolanyl)methyl]amino]-1-phenethyl-2-pyrrolo[2,3-b]pyridinecarboxylic acid methyl ester IUPAC Name: methyl 5-[(3-hydroxy-3-methylbutan-2-yl)amino]-3-(oxolane-2-carbonylamino)-1-phenethylpyrrolo[2,3-b]pyridine-2-carboxylate Traditional Name: 5-[(2-hydroxy-1,2-dimethyl-propyl)amino]-1-phenethyl-3-(tetrahydrofuran-2-carbonylamino)pyrrolo[2,3-b]pyridine-2-carboxylic acid methyl ester Formula: C27H34N4O5 MolecularWeight: 494.58266

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C)(C)O)NC1=CN=C2C(=C1)C(=C(N2CCC3=CC=CC=C3)C(=O)OC)NC(=O)C4CCCO4

Isomeric SMILES

CC(C(C)(C)O)NC1=CN=C2C(=C1)C(=C(N2CCC3=CC=CC=C3)C(=O)OC)NC(=O)C4CCCO4

InChI

InChI=1S/C27H34N4O5/c1-17(27(2,3)34)29-19-15-20-22(30-25(32)21-11-8-14-36-21)23(26(33)35-4)31(24(20)28-16-19)13-12-18-9-6-5-7-10-18/h5-7,9-10,15-17,21,29,34H,8,11-14H2,1-4H3,(H,30,32)