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

Systemtic Name: methyl (3R)-5-methyl-3-[[(2S)-1-oxidanylidene-1-[(phenylmethyl)amino]-3-pyridin-4-yl-propan-2-yl]carbamoyl]hexanoate Openeye Name: methyl (3R)-3-[[(1S)-2-(benzylamino)-2-oxo-1-(4-pyridylmethyl)ethyl]carbamoyl]-5-methyl-hexanoate CAS Name: (3R)-5-methyl-3-[oxo-[[(2S)-1-oxo-1-[(phenylmethyl)amino]-3-pyridin-4-ylpropan-2-yl]amino]methyl]hexanoic acid methyl ester IUPAC Name: methyl (3R)-3-[[(2S)-1-(benzylamino)-1-oxo-3-pyridin-4-ylpropan-2-yl]carbamoyl]-5-methylhexanoate Traditional Name: (3R)-3-[[(1S)-2-(benzylamino)-2-keto-1-(4-pyridylmethyl)ethyl]carbamoyl]-5-methyl-hexanoic acid methyl ester Formula: C24H31N3O4 MolecularWeight: 425.52064

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(CC(=O)OC)C(=O)NC(CC1=CC=NC=C1)C(=O)NCC2=CC=CC=C2

Isomeric SMILES

CC(C)C[C@H](CC(=O)OC)C(=O)N[C@@H](CC1=CC=NC=C1)C(=O)NCC2=CC=CC=C2

InChI

InChI=1S/C24H31N3O4/c1-17(2)13-20(15-22(28)31-3)23(29)27-21(14-18-9-11-25-12-10-18)24(30)26-16-19-7-5-4-6-8-19/h4-12,17,20-21H,13-16H2,1-3H3,(H,26,30)(H,27,29)/t20-,21+/m1/s1