tert-butyl (3R)-5-methyl-3-[[[(2S)-1-(methylamino)-1-oxidanylidene-3-phenyl-propan-2-yl]amino]methyl]hexanoate

Systemtic Name: tert-butyl (3R)-5-methyl-3-[[[(2S)-1-(methylamino)-1-oxidanylidene-3-phenyl-propan-2-yl]amino]methyl]hexanoate Openeye Name: tert-butyl (3R)-3-[[[(1S)-1-benzyl-2-(methylamino)-2-oxo-ethyl]amino]methyl]-5-methyl-hexanoate CAS Name: (3R)-5-methyl-3-[[[(2S)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]amino]methyl]hexanoic acid tert-butyl ester IUPAC Name: tert-butyl (3R)-5-methyl-3-[[[(2S)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]amino]methyl]hexanoate Traditional Name: (3R)-3-[[[(1S)-1-benzyl-2-keto-2-(methylamino)ethyl]amino]methyl]-5-methyl-hexanoic acid tert-butyl ester Formula: C22H36N2O3 MolecularWeight: 376.53284

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H36N2O3/c1-16(2)12-18(14-20(25)27-22(3,4)5)15-24-19(21(26)23-6)13-17-10-8-7-9-11-17/h7-11,16,18-19,24H,12-15H2,1-6H3,(H,23,26)/t18-,19+/m1/s1