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

Systemtic Name: tert-butyl N-[(2S)-1-(cyanomethylamino)-1-oxidanylidene-3-(4-phenylphenyl)propan-2-yl]carbamate Openeye Name: tert-butyl N-[(1S)-2-(cyanomethylamino)-2-oxo-1-[(4-phenylphenyl)methyl]ethyl]carbamate CAS Name: N-[(2S)-1-(cyanomethylamino)-1-oxo-3-(4-phenylphenyl)propan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(2S)-1-(cyanomethylamino)-1-oxo-3-(4-phenylphenyl)propan-2-yl]carbamate Traditional Name: N-[(1S)-2-(cyanomethylamino)-2-keto-1-(4-phenylbenzyl)ethyl]carbamic acid tert-butyl ester Formula: C22H25N3O3 MolecularWeight: 379.4522

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC1=CC=C(C=C1)C2=CC=CC=C2)C(=O)NCC#N

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](CC1=CC=C(C=C1)C2=CC=CC=C2)C(=O)NCC#N

InChI

InChI=1S/C22H25N3O3/c1-22(2,3)28-21(27)25-19(20(26)24-14-13-23)15-16-9-11-18(12-10-16)17-7-5-4-6-8-17/h4-12,19H,14-15H2,1-3H3,(H,24,26)(H,25,27)/t19-/m0/s1