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

Systemtic Name: methyl (2S)-2-[[1-cyclohexyl-5-(methylcarbamoyl)-4-oxidanylidene-pyridin-3-yl]carbonylamino]-3-phenyl-propanoate Openeye Name: methyl (2S)-2-[[1-cyclohexyl-5-(methylcarbamoyl)-4-oxo-pyridine-3-carbonyl]amino]-3-phenyl-propanoate CAS Name: (2S)-2-[[[1-cyclohexyl-5-(methylcarbamoyl)-4-oxo-3-pyridinyl]-oxomethyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[1-cyclohexyl-5-(methylcarbamoyl)-4-oxopyridine-3-carbonyl]amino]-3-phenylpropanoate Traditional Name: (2S)-2-[[1-cyclohexyl-4-keto-5-(methylcarbamoyl)nicotinoyl]amino]-3-phenyl-propionic acid methyl ester Formula: C24H29N3O5 MolecularWeight: 439.50416

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CNC(=O)C1=CN(C=C(C1=O)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)OC)C3CCCCC3

InChI

InChI=1S/C24H29N3O5/c1-25-22(29)18-14-27(17-11-7-4-8-12-17)15-19(21(18)28)23(30)26-20(24(31)32-2)13-16-9-5-3-6-10-16/h3,5-6,9-10,14-15,17,20H,4,7-8,11-13H2,1-2H3,(H,25,29)(H,26,30)/t20-/m0/s1