tert-butyl N-[6-[(4-nitro-2-propan-2-yl-imidazol-2-yl)methylamino]-3-oxidanyl-6-oxidanylidene-1-phenyl-5-(phenylmethyl)hexan-2-yl]carbamate

Systemtic Name: tert-butyl N-[6-[(4-nitro-2-propan-2-yl-imidazol-2-yl)methylamino]-3-oxidanyl-6-oxidanylidene-1-phenyl-5-(phenylmethyl)hexan-2-yl]carbamate Openeye Name: tert-butyl N-[1,4-dibenzyl-2-hydroxy-5-[(2-isopropyl-4-nitro-imidazol-2-yl)methylamino]-5-oxo-pentyl]carbamate CAS Name: N-[3-hydroxy-6-[(4-nitro-2-propan-2-yl-2-imidazolyl)methylamino]-6-oxo-1-phenyl-5-(phenylmethyl)hexan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[5-benzyl-3-hydroxy-6-[(4-nitro-2-propan-2-ylimidazol-2-yl)methylamino]-6-oxo-1-phenylhexan-2-yl]carbamate Traditional Name: N-[1,4-dibenzyl-2-hydroxy-5-[(2-isopropyl-4-nitro-imidazol-2-yl)methylamino]-5-keto-pentyl]carbamic acid tert-butyl ester Formula: C31H41N5O6 MolecularWeight: 579.68714

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1(N=CC(=N1)[N+](=O)[O-])CNC(=O)C(CC2=CC=CC=C2)CC(C(CC3=CC=CC=C3)NC(=O)OC(C)(C)C)O

Isomeric SMILES

CC(C)C1(N=CC(=N1)[N+](=O)[O-])CNC(=O)C(CC2=CC=CC=C2)CC(C(CC3=CC=CC=C3)NC(=O)OC(C)(C)C)O

InChI

InChI=1S/C31H41N5O6/c1-21(2)31(33-19-27(35-31)36(40)41)20-32-28(38)24(16-22-12-8-6-9-13-22)18-26(37)25(17-23-14-10-7-11-15-23)34-29(39)42-30(3,4)5/h6-15,19,21,24-26,37H,16-18,20H2,1-5H3,(H,32,38)(H,34,39)