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

Systemtic Name: methyl (2S)-2-[[5-(tert-butylcarbamoyl)-4-oxidanylidene-1-propan-2-yl-pyridin-3-yl]carbonylamino]-3-phenyl-propanoate Openeye Name: methyl (2S)-2-[[5-(tert-butylcarbamoyl)-1-isopropyl-4-oxo-pyridine-3-carbonyl]amino]-3-phenyl-propanoate CAS Name: (2S)-2-[[[5-[(tert-butylamino)-oxomethyl]-4-oxo-1-propan-2-yl-3-pyridinyl]-oxomethyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[5-(tert-butylcarbamoyl)-4-oxo-1-propan-2-ylpyridine-3-carbonyl]amino]-3-phenylpropanoate Traditional Name: (2S)-2-[[5-(tert-butylcarbamoyl)-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)N1C=C(C(=O)C(=C1)C(=O)NC(C)(C)C)C(=O)NC(CC2=CC=CC=C2)C(=O)OC

Isomeric SMILES

CC(C)N1C=C(C(=O)C(=C1)C(=O)NC(C)(C)C)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)OC

InChI

InChI=1S/C24H31N3O5/c1-15(2)27-13-17(20(28)18(14-27)22(30)26-24(3,4)5)21(29)25-19(23(31)32-6)12-16-10-8-7-9-11-16/h7-11,13-15,19H,12H2,1-6H3,(H,25,29)(H,26,30)/t19-/m0/s1