tert-butyl N-[(2S)-1-[(1-cyanocyclopropyl)amino]-1-oxidanylidene-3-phenyl-propan-2-yl]carbamate

Systemtic Name: tert-butyl N-[(2S)-1-[(1-cyanocyclopropyl)amino]-1-oxidanylidene-3-phenyl-propan-2-yl]carbamate Openeye Name: tert-butyl N-[(1S)-1-benzyl-2-[(1-cyanocyclopropyl)amino]-2-oxo-ethyl]carbamate CAS Name: N-[(2S)-1-[(1-cyanocyclopropyl)amino]-1-oxo-3-phenylpropan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(2S)-1-[(1-cyanocyclopropyl)amino]-1-oxo-3-phenylpropan-2-yl]carbamate Traditional Name: N-[(1S)-1-benzyl-2-[(1-cyanocyclopropyl)amino]-2-keto-ethyl]carbamic acid tert-butyl ester Formula: C18H23N3O3 MolecularWeight: 329.39352

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC1=CC=CC=C1)C(=O)NC2(CC2)C#N

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](CC1=CC=CC=C1)C(=O)NC2(CC2)C#N

InChI

InChI=1S/C18H23N3O3/c1-17(2,3)24-16(23)20-14(11-13-7-5-4-6-8-13)15(22)21-18(12-19)9-10-18/h4-8,14H,9-11H2,1-3H3,(H,20,23)(H,21,22)/t14-/m0/s1