(phenylmethyl) N-[1-[(1-bromanyl-5-methyl-2-oxidanylidene-hexan-3-yl)amino]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamate

Systemtic Name: (phenylmethyl) N-[1-[(1-bromanyl-5-methyl-2-oxidanylidene-hexan-3-yl)amino]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamate Openeye Name: benzyl N-[1-[[1-(2-bromoacetyl)-3-methyl-butyl]carbamoyl]-3-methyl-butyl]carbamate CAS Name: N-[1-[(1-bromo-5-methyl-2-oxohexan-3-yl)amino]-4-methyl-1-oxopentan-2-yl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[1-[(1-bromo-5-methyl-2-oxohexan-3-yl)amino]-4-methyl-1-oxopentan-2-yl]carbamate Traditional Name: N-[1-[[1-(2-bromoacetyl)-3-methyl-butyl]carbamoyl]-3-methyl-butyl]carbamic acid benzyl ester Formula: C21H31BrN2O4 MolecularWeight: 455.38584

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)CBr)NC(=O)C(CC(C)C)NC(=O)OCC1=CC=CC=C1

Isomeric SMILES

CC(C)CC(C(=O)CBr)NC(=O)C(CC(C)C)NC(=O)OCC1=CC=CC=C1

InChI

InChI=1S/C21H31BrN2O4/c1-14(2)10-17(19(25)12-22)23-20(26)18(11-15(3)4)24-21(27)28-13-16-8-6-5-7-9-16/h5-9,14-15,17-18H,10-13H2,1-4H3,(H,23,26)(H,24,27)