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

Systemtic Name: methyl (2S,3S)-2-[[1-cyclohexyl-5-(methylcarbamoyl)-4-oxidanylidene-pyridin-3-yl]carbonylamino]-3-methyl-pentanoate Openeye Name: methyl (2S,3S)-2-[[1-cyclohexyl-5-(methylcarbamoyl)-4-oxo-pyridine-3-carbonyl]amino]-3-methyl-pentanoate CAS Name: (2S,3S)-2-[[[1-cyclohexyl-5-(methylcarbamoyl)-4-oxo-3-pyridinyl]-oxomethyl]amino]-3-methylpentanoic acid methyl ester IUPAC Name: methyl (2S,3S)-2-[[1-cyclohexyl-5-(methylcarbamoyl)-4-oxopyridine-3-carbonyl]amino]-3-methylpentanoate Traditional Name: (2S,3S)-2-[[1-cyclohexyl-4-keto-5-(methylcarbamoyl)nicotinoyl]amino]-3-methyl-valeric acid methyl ester Formula: C21H31N3O5 MolecularWeight: 405.48794

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)OC)NC(=O)C1=CN(C=C(C1=O)C(=O)NC)C2CCCCC2

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)OC)NC(=O)C1=CN(C=C(C1=O)C(=O)NC)C2CCCCC2

InChI

InChI=1S/C21H31N3O5/c1-5-13(2)17(21(28)29-4)23-20(27)16-12-24(14-9-7-6-8-10-14)11-15(18(16)25)19(26)22-3/h11-14,17H,5-10H2,1-4H3,(H,22,26)(H,23,27)/t13-,17-/m0/s1