(phenylmethyl) N-[(2S)-1-[1-(4-imidazol-1-ylphenyl)ethylamino]-1-oxidanylidene-propan-2-yl]carbamate

Systemtic Name: (phenylmethyl) N-[(2S)-1-[1-(4-imidazol-1-ylphenyl)ethylamino]-1-oxidanylidene-propan-2-yl]carbamate Openeye Name: benzyl N-[(1S)-2-[1-(4-imidazol-1-ylphenyl)ethylamino]-1-methyl-2-oxo-ethyl]carbamate CAS Name: N-[(2S)-1-[1-[4-(1-imidazolyl)phenyl]ethylamino]-1-oxopropan-2-yl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[(2S)-1-[1-(4-imidazol-1-ylphenyl)ethylamino]-1-oxopropan-2-yl]carbamate Traditional Name: N-[(1S)-2-[1-(4-imidazol-1-ylphenyl)ethylamino]-2-keto-1-methyl-ethyl]carbamic acid benzyl ester Formula: C22H24N4O3 MolecularWeight: 392.45096

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)N2C=CN=C2)NC(=O)C(C)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

C[C@@H](C(=O)NC(C)C1=CC=C(C=C1)N2C=CN=C2)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C22H24N4O3/c1-16(19-8-10-20(11-9-19)26-13-12-23-15-26)24-21(27)17(2)25-22(28)29-14-18-6-4-3-5-7-18/h3-13,15-17H,14H2,1-2H3,(H,24,27)(H,25,28)/t16?,17-/m0/s1