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

Systemtic Name: methyl 4-[2-[[(2-methylpropan-2-yl)oxycarbonylamino]-phenylmethoxycarbonyl-amino]hexanoylamino]-2-(3-phenylmethoxyphenyl)benzoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C40H45N3O8 MolecularWeight: 695.8006

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C40H45N3O8/c1-6-7-21-35(43(42-38(46)51-40(2,3)4)39(47)50-27-29-17-12-9-13-18-29)36(44)41-31-22-23-33(37(45)48-5)34(25-31)30-19-14-20-32(24-30)49-26-28-15-10-8-11-16-28/h8-20,22-25,35H,6-7,21,26-27H2,1-5H3,(H,41,44)(H,42,46)