methyl (2S)-2-[[5-(azepan-1-ylcarbonyl)-1-(2-methylpropyl)-4-oxidanylidene-pyridin-3-yl]carbonylamino]-2-phenyl-ethanoate

Systemtic Name: methyl (2S)-2-[[5-(azepan-1-ylcarbonyl)-1-(2-methylpropyl)-4-oxidanylidene-pyridin-3-yl]carbonylamino]-2-phenyl-ethanoate Openeye Name: methyl (2S)-2-[[5-(azepane-1-carbonyl)-1-isobutyl-4-oxo-pyridine-3-carbonyl]amino]-2-phenyl-acetate CAS Name: (2S)-2-[[[5-[1-azepanyl(oxo)methyl]-1-(2-methylpropyl)-4-oxo-3-pyridinyl]-oxomethyl]amino]-2-phenylacetic acid methyl ester IUPAC Name: methyl (2S)-2-[[5-(azepane-1-carbonyl)-1-(2-methylpropyl)-4-oxopyridine-3-carbonyl]amino]-2-phenylacetate Traditional Name: (2S)-2-[[5-(azepane-1-carbonyl)-1-isobutyl-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)CN1C=C(C(=O)C(=C1)C(=O)N2CCCCCC2)C(=O)NC(C3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CC(C)CN1C=C(C(=O)C(=C1)C(=O)N2CCCCCC2)C(=O)N[C@@H](C3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C26H33N3O5/c1-18(2)15-28-16-20(23(30)21(17-28)25(32)29-13-9-4-5-10-14-29)24(31)27-22(26(33)34-3)19-11-7-6-8-12-19/h6-8,11-12,16-18,22H,4-5,9-10,13-15H2,1-3H3,(H,27,31)/t22-/m0/s1