tert-butyl N-[(2S)-3-(4-cyanophenyl)-1-(2-methylpropylamino)-1-oxidanylidene-propan-2-yl]carbamate

Systemtic Name: tert-butyl N-[(2S)-3-(4-cyanophenyl)-1-(2-methylpropylamino)-1-oxidanylidene-propan-2-yl]carbamate Openeye Name: tert-butyl N-[(1S)-1-[(4-cyanophenyl)methyl]-2-(isobutylamino)-2-oxo-ethyl]carbamate CAS Name: N-[(2S)-3-(4-cyanophenyl)-1-(2-methylpropylamino)-1-oxopropan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(2S)-3-(4-cyanophenyl)-1-(2-methylpropylamino)-1-oxopropan-2-yl]carbamate Traditional Name: N-[(1S)-1-(4-cyanobenzyl)-2-(isobutylamino)-2-keto-ethyl]carbamic acid tert-butyl ester Formula: C19H27N3O3 MolecularWeight: 345.43598

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H27N3O3/c1-13(2)12-21-17(23)16(22-18(24)25-19(3,4)5)10-14-6-8-15(11-20)9-7-14/h6-9,13,16H,10,12H2,1-5H3,(H,21,23)(H,22,24)/t16-/m0/s1