methyl 2-acetamido-4-[4-[3-(3-imidazol-1-ylpropylcarbamoyl)-6-methyl-pyridin-2-yl]piperidin-1-yl]-4-oxidanylidene-butanoate

Systemtic Name: methyl 2-acetamido-4-[4-[3-(3-imidazol-1-ylpropylcarbamoyl)-6-methyl-pyridin-2-yl]piperidin-1-yl]-4-oxidanylidene-butanoate Openeye Name: methyl 2-acetamido-4-[4-[3-(3-imidazol-1-ylpropylcarbamoyl)-6-methyl-2-pyridyl]-1-piperidyl]-4-oxo-butanoate CAS Name: 2-acetamido-4-[4-[3-[[3-(1-imidazolyl)propylamino]-oxomethyl]-6-methyl-2-pyridinyl]-1-piperidinyl]-4-oxobutanoic acid methyl ester IUPAC Name: methyl 2-acetamido-4-[4-[3-(3-imidazol-1-ylpropylcarbamoyl)-6-methylpyridin-2-yl]piperidin-1-yl]-4-oxobutanoate Traditional Name: 2-acetamido-4-[4-[3-(3-imidazol-1-ylpropylcarbamoyl)-6-methyl-2-pyridyl]piperidino]-4-keto-butyric acid methyl ester Formula: C25H34N6O5 MolecularWeight: 498.57466

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C=C1)C(=O)NCCCN2C=CN=C2)C3CCN(CC3)C(=O)CC(C(=O)OC)NC(=O)C

Isomeric SMILES

CC1=NC(=C(C=C1)C(=O)NCCCN2C=CN=C2)C3CCN(CC3)C(=O)CC(C(=O)OC)NC(=O)C

InChI

InChI=1S/C25H34N6O5/c1-17-5-6-20(24(34)27-9-4-11-30-14-10-26-16-30)23(28-17)19-7-12-31(13-8-19)22(33)15-21(25(35)36-3)29-18(2)32/h5-6,10,14,16,19,21H,4,7-9,11-13,15H2,1-3H3,(H,27,34)(H,29,32)