tert-butyl [2-[[2-butyl-5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethanoylamino]benzimidazol-1-yl]methyl]-6-phenyl-phenyl] carbonate

Systemtic Name: tert-butyl [2-[[2-butyl-5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethanoylamino]benzimidazol-1-yl]methyl]-6-phenyl-phenyl] carbonate Openeye Name: [2-[[5-[[2-(tert-butoxycarbonylamino)acetyl]amino]-2-butyl-benzimidazol-1-yl]methyl]-6-phenyl-phenyl] tert-butyl carbonate CAS Name: carbonic acid tert-butyl [2-[[2-butyl-5-[[2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxoethyl]amino]-1-benzimidazolyl]methyl]-6-phenylphenyl] ester IUPAC Name: tert-butyl [2-[[2-butyl-5-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]benzimidazol-1-yl]methyl]-6-phenylphenyl] carbonate Traditional Name: carbonic acid [2-[[5-[[2-(tert-butoxycarbonylamino)acetyl]amino]-2-butyl-benzimidazol-1-yl]methyl]-6-phenyl-phenyl] tert-butyl ester Formula: C36H44N4O6 MolecularWeight: 628.75776

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=C(N1CC3=CC=CC(=C3OC(=O)OC(C)(C)C)C4=CC=CC=C4)C=CC(=C2)NC(=O)CNC(=O)OC(C)(C)C

Isomeric SMILES

CCCCC1=NC2=C(N1CC3=CC=CC(=C3OC(=O)OC(C)(C)C)C4=CC=CC=C4)C=CC(=C2)NC(=O)CNC(=O)OC(C)(C)C

InChI

InChI=1S/C36H44N4O6/c1-8-9-18-30-39-28-21-26(38-31(41)22-37-33(42)45-35(2,3)4)19-20-29(28)40(30)23-25-16-13-17-27(24-14-11-10-12-15-24)32(25)44-34(43)46-36(5,6)7/h10-17,19-21H,8-9,18,22-23H2,1-7H3,(H,37,42)(H,38,41)