methyl (3R)-5-methyl-3-[[(2S)-1-(methylamino)-1-oxidanylidene-3-pyridin-4-yl-propan-2-yl]carbamoyl]hexanoate

Systemtic Name: methyl (3R)-5-methyl-3-[[(2S)-1-(methylamino)-1-oxidanylidene-3-pyridin-4-yl-propan-2-yl]carbamoyl]hexanoate Openeye Name: methyl (3R)-5-methyl-3-[[(1S)-2-(methylamino)-2-oxo-1-(4-pyridylmethyl)ethyl]carbamoyl]hexanoate CAS Name: (3R)-5-methyl-3-[[[(2S)-1-(methylamino)-1-oxo-3-pyridin-4-ylpropan-2-yl]amino]-oxomethyl]hexanoic acid methyl ester IUPAC Name: methyl (3R)-5-methyl-3-[[(2S)-1-(methylamino)-1-oxo-3-pyridin-4-ylpropan-2-yl]carbamoyl]hexanoate Traditional Name: (3R)-3-[[(1S)-2-keto-2-(methylamino)-1-(4-pyridylmethyl)ethyl]carbamoyl]-5-methyl-hexanoic acid methyl ester Formula: C18H27N3O4 MolecularWeight: 349.42468

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(CC(=O)OC)C(=O)NC(CC1=CC=NC=C1)C(=O)NC

Isomeric SMILES

CC(C)C[C@H](CC(=O)OC)C(=O)N[C@@H](CC1=CC=NC=C1)C(=O)NC

InChI

InChI=1S/C18H27N3O4/c1-12(2)9-14(11-16(22)25-4)17(23)21-15(18(24)19-3)10-13-5-7-20-8-6-13/h5-8,12,14-15H,9-11H2,1-4H3,(H,19,24)(H,21,23)/t14-,15+/m1/s1