(phenylmethyl) N-[(2S)-4-methyl-1-oxidanylidene-1-(2-phenylazanylethylamino)pentan-2-yl]carbamate

Systemtic Name: (phenylmethyl) N-[(2S)-4-methyl-1-oxidanylidene-1-(2-phenylazanylethylamino)pentan-2-yl]carbamate Openeye Name: benzyl N-[(1S)-1-(2-anilinoethylcarbamoyl)-3-methyl-butyl]carbamate CAS Name: N-[(2S)-1-(2-anilinoethylamino)-4-methyl-1-oxopentan-2-yl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[(2S)-1-(2-anilinoethylamino)-4-methyl-1-oxopentan-2-yl]carbamate Traditional Name: N-[(1S)-1-(2-anilinoethylcarbamoyl)-3-methyl-butyl]carbamic acid benzyl ester Formula: C22H29N3O3 MolecularWeight: 383.48396

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NCCNC1=CC=CC=C1)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC(C)C[C@@H](C(=O)NCCNC1=CC=CC=C1)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C22H29N3O3/c1-17(2)15-20(25-22(27)28-16-18-9-5-3-6-10-18)21(26)24-14-13-23-19-11-7-4-8-12-19/h3-12,17,20,23H,13-16H2,1-2H3,(H,24,26)(H,25,27)/t20-/m0/s1