tert-butyl 4-[2-[[(2-methylpropan-2-yl)oxycarbonylamino]-phenylmethoxycarbonyl-amino]hexanoylamino]-2-(3-phenylmethoxyphenyl)benzoate

Systemtic Name: tert-butyl 4-[2-[[(2-methylpropan-2-yl)oxycarbonylamino]-phenylmethoxycarbonyl-amino]hexanoylamino]-2-(3-phenylmethoxyphenyl)benzoate Openeye Name: tert-butyl 4-[2-[benzyloxycarbonyl-(tert-butoxycarbonylamino)amino]hexanoylamino]-2-(3-benzyloxyphenyl)benzoate CAS Name: 4-[[2-[[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-phenylmethoxycarbonylamino]-1-oxohexyl]amino]-2-(3-phenylmethoxyphenyl)benzoic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-[[(2-methylpropan-2-yl)oxycarbonylamino]-phenylmethoxycarbonylamino]hexanoylamino]-2-(3-phenylmethoxyphenyl)benzoate Traditional Name: 2-(3-benzoxyphenyl)-4-[2-[(tert-butoxycarbonylamino)-carbobenzoxy-amino]hexanoylamino]benzoic acid tert-butyl ester Formula: C43H51N3O8 MolecularWeight: 737.88034

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)NC1=CC(=C(C=C1)C(=O)OC(C)(C)C)C2=CC(=CC=C2)OCC3=CC=CC=C3)N(C(=O)OCC4=CC=CC=C4)NC(=O)OC(C)(C)C

Isomeric SMILES

CCCCC(C(=O)NC1=CC(=C(C=C1)C(=O)OC(C)(C)C)C2=CC(=CC=C2)OCC3=CC=CC=C3)N(C(=O)OCC4=CC=CC=C4)NC(=O)OC(C)(C)C

InChI

InChI=1S/C43H51N3O8/c1-8-9-23-37(46(45-40(49)54-43(5,6)7)41(50)52-29-31-19-14-11-15-20-31)38(47)44-33-24-25-35(39(48)53-42(2,3)4)36(27-33)32-21-16-22-34(26-32)51-28-30-17-12-10-13-18-30/h10-22,24-27,37H,8-9,23,28-29H2,1-7H3,(H,44,47)(H,45,49)