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

Systemtic Name: methyl (2S)-2-[[5-(azepan-1-ylcarbonyl)-1-(2-methylpropyl)-4-oxidanylidene-pyridin-3-yl]carbonylamino]-3-methyl-butanoate Openeye Name: methyl (2S)-2-[[5-(azepane-1-carbonyl)-1-isobutyl-4-oxo-pyridine-3-carbonyl]amino]-3-methyl-butanoate CAS Name: (2S)-2-[[[5-[1-azepanyl(oxo)methyl]-1-(2-methylpropyl)-4-oxo-3-pyridinyl]-oxomethyl]amino]-3-methylbutanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[5-(azepane-1-carbonyl)-1-(2-methylpropyl)-4-oxopyridine-3-carbonyl]amino]-3-methylbutanoate Traditional Name: (2S)-2-[[5-(azepane-1-carbonyl)-1-isobutyl-4-keto-nicotinoyl]amino]-3-methyl-butyric acid methyl ester Formula: C23H35N3O5 MolecularWeight: 433.5411

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C=C(C(=O)C(=C1)C(=O)N2CCCCCC2)C(=O)NC(C(C)C)C(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C23H35N3O5/c1-15(2)12-25-13-17(21(28)24-19(16(3)4)23(30)31-5)20(27)18(14-25)22(29)26-10-8-6-7-9-11-26/h13-16,19H,6-12H2,1-5H3,(H,24,28)/t19-/m0/s1