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

Systemtic Name: methyl (3R)-5-methyl-3-[[(2S)-1-(methylamino)-1-oxidanylidene-3-quinolin-3-yl-propan-2-yl]carbamoyl]hexanoate Openeye Name: methyl (3R)-5-methyl-3-[[(1S)-2-(methylamino)-2-oxo-1-(3-quinolylmethyl)ethyl]carbamoyl]hexanoate CAS Name: (3R)-5-methyl-3-[[[(2S)-1-(methylamino)-1-oxo-3-(3-quinolinyl)propan-2-yl]amino]-oxomethyl]hexanoic acid methyl ester IUPAC Name: methyl (3R)-5-methyl-3-[[(2S)-1-(methylamino)-1-oxo-3-quinolin-3-ylpropan-2-yl]carbamoyl]hexanoate Traditional Name: (3R)-3-[[(1S)-2-keto-2-(methylamino)-1-(3-quinolylmethyl)ethyl]carbamoyl]-5-methyl-hexanoic acid methyl ester Formula: C22H29N3O4 MolecularWeight: 399.48336

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(CC(=O)OC)C(=O)NC(CC1=CC2=CC=CC=C2N=C1)C(=O)NC

Isomeric SMILES

CC(C)C[C@H](CC(=O)OC)C(=O)N[C@@H](CC1=CC2=CC=CC=C2N=C1)C(=O)NC

InChI

InChI=1S/C22H29N3O4/c1-14(2)9-17(12-20(26)29-4)21(27)25-19(22(28)23-3)11-15-10-16-7-5-6-8-18(16)24-13-15/h5-8,10,13-14,17,19H,9,11-12H2,1-4H3,(H,23,28)(H,25,27)/t17-,19+/m1/s1