(phenylmethyl) N-[(2S)-1-(2-benzamidoethylamino)-3-methyl-1-oxidanylidene-butan-2-yl]carbamate

Systemtic Name: (phenylmethyl) N-[(2S)-1-(2-benzamidoethylamino)-3-methyl-1-oxidanylidene-butan-2-yl]carbamate Openeye Name: benzyl N-[(1S)-1-(2-benzamidoethylcarbamoyl)-2-methyl-propyl]carbamate CAS Name: N-[(2S)-1-(2-benzamidoethylamino)-3-methyl-1-oxobutan-2-yl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[(2S)-1-(2-benzamidoethylamino)-3-methyl-1-oxobutan-2-yl]carbamate Traditional Name: N-[(1S)-1-(2-benzamidoethylcarbamoyl)-2-methyl-propyl]carbamic acid benzyl ester Formula: C22H27N3O4 MolecularWeight: 397.46748

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N3O4/c1-16(2)19(25-22(28)29-15-17-9-5-3-6-10-17)21(27)24-14-13-23-20(26)18-11-7-4-8-12-18/h3-12,16,19H,13-15H2,1-2H3,(H,23,26)(H,24,27)(H,25,28)/t19-/m0/s1