methyl (2S)-2-[[5-(cyclooctylcarbamoyl)-4-oxidanylidene-1-(pyridin-2-ylmethyl)pyridin-3-yl]carbonylamino]-3-methyl-butanoate

Systemtic Name: methyl (2S)-2-[[5-(cyclooctylcarbamoyl)-4-oxidanylidene-1-(pyridin-2-ylmethyl)pyridin-3-yl]carbonylamino]-3-methyl-butanoate Openeye Name: methyl (2S)-2-[[5-(cyclooctylcarbamoyl)-4-oxo-1-(2-pyridylmethyl)pyridine-3-carbonyl]amino]-3-methyl-butanoate CAS Name: (2S)-2-[[[5-[(cyclooctylamino)-oxomethyl]-4-oxo-1-(2-pyridinylmethyl)-3-pyridinyl]-oxomethyl]amino]-3-methylbutanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[5-(cyclooctylcarbamoyl)-4-oxo-1-(pyridin-2-ylmethyl)pyridine-3-carbonyl]amino]-3-methylbutanoate Traditional Name: (2S)-2-[[5-(cyclooctylcarbamoyl)-4-keto-1-(2-pyridylmethyl)nicotinoyl]amino]-3-methyl-butyric acid methyl ester Formula: C27H36N4O5 MolecularWeight: 496.59854

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OC)NC(=O)C1=CN(C=C(C1=O)C(=O)NC2CCCCCCC2)CC3=CC=CC=N3

Isomeric SMILES

CC(C)[C@@H](C(=O)OC)NC(=O)C1=CN(C=C(C1=O)C(=O)NC2CCCCCCC2)CC3=CC=CC=N3

InChI

InChI=1S/C27H36N4O5/c1-18(2)23(27(35)36-3)30-26(34)22-17-31(15-20-13-9-10-14-28-20)16-21(24(22)32)25(33)29-19-11-7-5-4-6-8-12-19/h9-10,13-14,16-19,23H,4-8,11-12,15H2,1-3H3,(H,29,33)(H,30,34)/t23-/m0/s1