tert-butyl N-[(2S)-1-[[(1S)-1-cyano-2-phenyl-ethyl]amino]-1-oxidanylidene-propan-2-yl]carbamate

Systemtic Name: tert-butyl N-[(2S)-1-[[(1S)-1-cyano-2-phenyl-ethyl]amino]-1-oxidanylidene-propan-2-yl]carbamate Openeye Name: tert-butyl N-[(1S)-2-[[(1S)-1-cyano-2-phenyl-ethyl]amino]-1-methyl-2-oxo-ethyl]carbamate CAS Name: N-[(2S)-1-[[(1S)-1-cyano-2-phenylethyl]amino]-1-oxopropan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(2S)-1-[[(1S)-1-cyano-2-phenylethyl]amino]-1-oxopropan-2-yl]carbamate Traditional Name: N-[(1S)-2-[[(1S)-1-cyano-2-phenyl-ethyl]amino]-2-keto-1-methyl-ethyl]carbamic acid tert-butyl ester Formula: C17H23N3O3 MolecularWeight: 317.38282

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H23N3O3/c1-12(19-16(22)23-17(2,3)4)15(21)20-14(11-18)10-13-8-6-5-7-9-13/h5-9,12,14H,10H2,1-4H3,(H,19,22)(H,20,21)/t12-,14-/m0/s1