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

Systemtic Name: methyl (2S)-2-[[5-(2-methylpropylcarbamoyl)-4-oxidanylidene-1-propan-2-yl-pyridin-3-yl]carbonylamino]-3-phenyl-propanoate Openeye Name: methyl (2S)-2-[[5-(isobutylcarbamoyl)-1-isopropyl-4-oxo-pyridine-3-carbonyl]amino]-3-phenyl-propanoate CAS Name: (2S)-2-[[[5-[(2-methylpropylamino)-oxomethyl]-4-oxo-1-propan-2-yl-3-pyridinyl]-oxomethyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[5-(2-methylpropylcarbamoyl)-4-oxo-1-propan-2-ylpyridine-3-carbonyl]amino]-3-phenylpropanoate Traditional Name: (2S)-2-[[5-(isobutylcarbamoyl)-1-isopropyl-4-keto-nicotinoyl]amino]-3-phenyl-propionic acid methyl ester Formula: C24H31N3O5 MolecularWeight: 441.52004

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)C1=CN(C=C(C1=O)C(=O)NC(CC2=CC=CC=C2)C(=O)OC)C(C)C

Isomeric SMILES

CC(C)CNC(=O)C1=CN(C=C(C1=O)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)OC)C(C)C

InChI

InChI=1S/C24H31N3O5/c1-15(2)12-25-22(29)18-13-27(16(3)4)14-19(21(18)28)23(30)26-20(24(31)32-5)11-17-9-7-6-8-10-17/h6-10,13-16,20H,11-12H2,1-5H3,(H,25,29)(H,26,30)/t20-/m0/s1