(phenylmethyl) N-[(1S)-2-[[(1R)-1-cyano-3-methyl-butyl]amino]-2-oxidanylidene-1-phenyl-ethyl]carbamate

Systemtic Name: (phenylmethyl) N-[(1S)-2-[[(1R)-1-cyano-3-methyl-butyl]amino]-2-oxidanylidene-1-phenyl-ethyl]carbamate Openeye Name: benzyl N-[(1S)-2-[[(1R)-1-cyano-3-methyl-butyl]amino]-2-oxo-1-phenyl-ethyl]carbamate CAS Name: N-[(1S)-2-[[(1R)-1-cyano-3-methylbutyl]amino]-2-oxo-1-phenylethyl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[(1S)-2-[[(1R)-1-cyano-3-methylbutyl]amino]-2-oxo-1-phenylethyl]carbamate Traditional Name: N-[(1S)-2-[[(1R)-1-cyano-3-methyl-butyl]amino]-2-keto-1-phenyl-ethyl]carbamic acid benzyl ester Formula: C22H25N3O3 MolecularWeight: 379.4522

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C#N)NC(=O)C(C1=CC=CC=C1)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC(C)C[C@H](C#N)NC(=O)[C@H](C1=CC=CC=C1)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C22H25N3O3/c1-16(2)13-19(14-23)24-21(26)20(18-11-7-4-8-12-18)25-22(27)28-15-17-9-5-3-6-10-17/h3-12,16,19-20H,13,15H2,1-2H3,(H,24,26)(H,25,27)/t19-,20+/m1/s1