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

Systemtic Name: methyl 3-acetamido-1-(3-methylbutyl)-5-[(4-methyl-4-oxidanyl-pentan-2-yl)amino]pyrrolo[2,3-b]pyridine-2-carboxylate Openeye Name: methyl 3-acetamido-5-[(3-hydroxy-1,3-dimethyl-butyl)amino]-1-isopentyl-pyrrolo[2,3-b]pyridine-2-carboxylate CAS Name: 3-acetamido-5-[(4-hydroxy-4-methylpentan-2-yl)amino]-1-(3-methylbutyl)-2-pyrrolo[2,3-b]pyridinecarboxylic acid methyl ester IUPAC Name: methyl 3-acetamido-5-[(4-hydroxy-4-methylpentan-2-yl)amino]-1-(3-methylbutyl)pyrrolo[2,3-b]pyridine-2-carboxylate Traditional Name: 3-acetamido-5-[(3-hydroxy-1,3-dimethyl-butyl)amino]-1-isoamyl-pyrrolo[2,3-b]pyridine-2-carboxylic acid methyl ester Formula: C22H34N4O4 MolecularWeight: 418.52976

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C(=C(C2=CC(=CN=C21)NC(C)CC(C)(C)O)NC(=O)C)C(=O)OC

Isomeric SMILES

CC(C)CCN1C(=C(C2=CC(=CN=C21)NC(C)CC(C)(C)O)NC(=O)C)C(=O)OC

InChI

InChI=1S/C22H34N4O4/c1-13(2)8-9-26-19(21(28)30-7)18(25-15(4)27)17-10-16(12-23-20(17)26)24-14(3)11-22(5,6)29/h10,12-14,24,29H,8-9,11H2,1-7H3,(H,25,27)