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

Systemtic Name: methyl (2S)-2-[[5-(tert-butylcarbamoyl)-1-cyclohexyl-4-oxidanylidene-pyridin-3-yl]carbonylamino]-3-phenyl-propanoate Openeye Name: methyl (2S)-2-[[5-(tert-butylcarbamoyl)-1-cyclohexyl-4-oxo-pyridine-3-carbonyl]amino]-3-phenyl-propanoate CAS Name: (2S)-2-[[[5-[(tert-butylamino)-oxomethyl]-1-cyclohexyl-4-oxo-3-pyridinyl]-oxomethyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[5-(tert-butylcarbamoyl)-1-cyclohexyl-4-oxopyridine-3-carbonyl]amino]-3-phenylpropanoate Traditional Name: (2S)-2-[[5-(tert-butylcarbamoyl)-1-cyclohexyl-4-keto-nicotinoyl]amino]-3-phenyl-propionic acid methyl ester Formula: C27H35N3O5 MolecularWeight: 481.5839

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)C1=CN(C=C(C1=O)C(=O)NC(CC2=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](CC2=CC=CC=C2)C(=O)OC)C3CCCCC3

InChI

InChI=1S/C27H35N3O5/c1-27(2,3)29-25(33)21-17-30(19-13-9-6-10-14-19)16-20(23(21)31)24(32)28-22(26(34)35-4)15-18-11-7-5-8-12-18/h5,7-8,11-12,16-17,19,22H,6,9-10,13-15H2,1-4H3,(H,28,32)(H,29,33)/t22-/m0/s1