methyl 3-[[1-cyclohexyl-5-(2-methylpropylcarbamoyl)-4-oxidanylidene-pyridin-3-yl]carbonylamino]propanoate

Systemtic Name: methyl 3-[[1-cyclohexyl-5-(2-methylpropylcarbamoyl)-4-oxidanylidene-pyridin-3-yl]carbonylamino]propanoate Openeye Name: methyl 3-[[1-cyclohexyl-5-(isobutylcarbamoyl)-4-oxo-pyridine-3-carbonyl]amino]propanoate CAS Name: 3-[[[1-cyclohexyl-5-[(2-methylpropylamino)-oxomethyl]-4-oxo-3-pyridinyl]-oxomethyl]amino]propanoic acid methyl ester IUPAC Name: methyl 3-[[1-cyclohexyl-5-(2-methylpropylcarbamoyl)-4-oxopyridine-3-carbonyl]amino]propanoate Traditional Name: 3-[[1-cyclohexyl-5-(isobutylcarbamoyl)-4-keto-nicotinoyl]amino]propionic acid methyl ester Formula: C21H31N3O5 MolecularWeight: 405.48794

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)C1=CN(C=C(C1=O)C(=O)NCCC(=O)OC)C2CCCCC2

Isomeric SMILES

CC(C)CNC(=O)C1=CN(C=C(C1=O)C(=O)NCCC(=O)OC)C2CCCCC2

InChI

InChI=1S/C21H31N3O5/c1-14(2)11-23-21(28)17-13-24(15-7-5-4-6-8-15)12-16(19(17)26)20(27)22-10-9-18(25)29-3/h12-15H,4-11H2,1-3H3,(H,22,27)(H,23,28)