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

Systemtic Name: methyl (2S)-2-[[5-(tert-butylcarbamoyl)-1-cyclohexyl-4-oxidanylidene-pyridin-3-yl]carbonylamino]-2-phenyl-ethanoate Openeye Name: methyl (2S)-2-[[5-(tert-butylcarbamoyl)-1-cyclohexyl-4-oxo-pyridine-3-carbonyl]amino]-2-phenyl-acetate CAS Name: (2S)-2-[[[5-[(tert-butylamino)-oxomethyl]-1-cyclohexyl-4-oxo-3-pyridinyl]-oxomethyl]amino]-2-phenylacetic acid methyl ester IUPAC Name: methyl (2S)-2-[[5-(tert-butylcarbamoyl)-1-cyclohexyl-4-oxopyridine-3-carbonyl]amino]-2-phenylacetate Traditional Name: (2S)-2-[[5-(tert-butylcarbamoyl)-1-cyclohexyl-4-keto-nicotinoyl]amino]-2-phenyl-acetic acid methyl ester Formula: C26H33N3O5 MolecularWeight: 467.55732

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)C1=CN(C=C(C1=O)C(=O)NC(C2=CC=CC=C2)C(=O)OC)C3CCCCC3

Isomeric SMILES

CC(C)(C)NC(=O)C1=CN(C=C(C1=O)C(=O)N[C@@H](C2=CC=CC=C2)C(=O)OC)C3CCCCC3

InChI

InChI=1S/C26H33N3O5/c1-26(2,3)28-24(32)20-16-29(18-13-9-6-10-14-18)15-19(22(20)30)23(31)27-21(25(33)34-4)17-11-7-5-8-12-17/h5,7-8,11-12,15-16,18,21H,6,9-10,13-14H2,1-4H3,(H,27,31)(H,28,32)/t21-/m0/s1