methyl 3-acetamido-1-(3-methylbutyl)-5-(4-methylpentan-2-ylamino)pyrrolo[2,3-b]pyridine-2-carboxylate

Systemtic Name: methyl 3-acetamido-1-(3-methylbutyl)-5-(4-methylpentan-2-ylamino)pyrrolo[2,3-b]pyridine-2-carboxylate Openeye Name: methyl 3-acetamido-5-(1,3-dimethylbutylamino)-1-isopentyl-pyrrolo[2,3-b]pyridine-2-carboxylate CAS Name: 3-acetamido-1-(3-methylbutyl)-5-(4-methylpentan-2-ylamino)-2-pyrrolo[2,3-b]pyridinecarboxylic acid methyl ester IUPAC Name: methyl 3-acetamido-1-(3-methylbutyl)-5-(4-methylpentan-2-ylamino)pyrrolo[2,3-b]pyridine-2-carboxylate Traditional Name: 3-acetamido-5-(1,3-dimethylbutylamino)-1-isoamyl-pyrrolo[2,3-b]pyridine-2-carboxylic acid methyl ester Formula: C22H34N4O3 MolecularWeight: 402.53036

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H34N4O3/c1-13(2)8-9-26-20(22(28)29-7)19(25-16(6)27)18-11-17(12-23-21(18)26)24-15(5)10-14(3)4/h11-15,24H,8-10H2,1-7H3,(H,25,27)