methyl 3-acetamido-1-(3-methylbutyl)-5-(6-methylhept-5-en-2-ylamino)pyrrolo[2,3-b]pyridine-2-carboxylate

Systemtic Name: methyl 3-acetamido-1-(3-methylbutyl)-5-(6-methylhept-5-en-2-ylamino)pyrrolo[2,3-b]pyridine-2-carboxylate Openeye Name: methyl 3-acetamido-5-(1,5-dimethylhex-4-enylamino)-1-isopentyl-pyrrolo[2,3-b]pyridine-2-carboxylate CAS Name: 3-acetamido-1-(3-methylbutyl)-5-(6-methylhept-5-en-2-ylamino)-2-pyrrolo[2,3-b]pyridinecarboxylic acid methyl ester IUPAC Name: methyl 3-acetamido-1-(3-methylbutyl)-5-(6-methylhept-5-en-2-ylamino)pyrrolo[2,3-b]pyridine-2-carboxylate Traditional Name: 3-acetamido-5-(1,5-dimethylhex-4-enylamino)-1-isoamyl-pyrrolo[2,3-b]pyridine-2-carboxylic acid methyl ester Formula: C24H36N4O3 MolecularWeight: 428.56764

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H36N4O3/c1-15(2)9-8-10-17(5)26-19-13-20-21(27-18(6)29)22(24(30)31-7)28(12-11-16(3)4)23(20)25-14-19/h9,13-14,16-17,26H,8,10-12H2,1-7H3,(H,27,29)