3-[2-[[6-(benzamidomethyl)pyridin-2-yl]methyl-(phenylcarbonyl)amino]ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propyl benzoate

Systemtic Name: 3-[2-[[6-(benzamidomethyl)pyridin-2-yl]methyl-(phenylcarbonyl)amino]ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propyl benzoate Openeye Name: 3-[2-[[6-(benzamidomethyl)-2-pyridyl]methyl-benzoyl-amino]ethyl-tert-butoxycarbonyl-amino]propyl benzoate CAS Name: benzoic acid 3-[2-[[6-(benzamidomethyl)-2-pyridinyl]methyl-benzoylamino]ethyl-[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propyl ester IUPAC Name: 3-[2-[[6-(benzamidomethyl)pyridin-2-yl]methyl-benzoylamino]ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propyl benzoate Traditional Name: benzoic acid 3-[2-[[6-(benzamidomethyl)-2-pyridyl]methyl-benzoyl-amino]ethyl-tert-butoxycarbonyl-amino]propyl ester Formula: C38H42N4O6 MolecularWeight: 650.76328

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N(CCCOC(=O)C1=CC=CC=C1)CCN(CC2=CC=CC(=N2)CNC(=O)C3=CC=CC=C3)C(=O)C4=CC=CC=C4

Isomeric SMILES

CC(C)(C)OC(=O)N(CCCOC(=O)C1=CC=CC=C1)CCN(CC2=CC=CC(=N2)CNC(=O)C3=CC=CC=C3)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C38H42N4O6/c1-38(2,3)48-37(46)41(23-14-26-47-36(45)31-19-11-6-12-20-31)24-25-42(35(44)30-17-9-5-10-18-30)28-33-22-13-21-32(40-33)27-39-34(43)29-15-7-4-8-16-29/h4-13,15-22H,14,23-28H2,1-3H3,(H,39,43)