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

Systemtic Name: tert-butyl N-[(2S)-1-cyano-3-phenyl-1-[[2-(phenylcarbonyl)phenyl]amino]propan-2-yl]carbamate Openeye Name: tert-butyl N-[(1S)-2-(2-benzoylanilino)-1-benzyl-2-cyano-ethyl]carbamate CAS Name: N-[(2S)-1-(2-benzoylanilino)-1-cyano-3-phenylpropan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(2S)-1-(2-benzoylanilino)-1-cyano-3-phenylpropan-2-yl]carbamate Traditional Name: N-[(1S)-2-(2-benzoylanilino)-1-benzyl-2-cyano-ethyl]carbamic acid tert-butyl ester Formula: C28H29N3O3 MolecularWeight: 455.54816

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC1=CC=CC=C1)C(C#N)NC2=CC=CC=C2C(=O)C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](CC1=CC=CC=C1)C(C#N)NC2=CC=CC=C2C(=O)C3=CC=CC=C3

InChI

InChI=1S/C28H29N3O3/c1-28(2,3)34-27(33)31-24(18-20-12-6-4-7-13-20)25(19-29)30-23-17-11-10-16-22(23)26(32)21-14-8-5-9-15-21/h4-17,24-25,30H,18H2,1-3H3,(H,31,33)/t24-,25?/m0/s1