(phenylmethyl) N-(phenylmethyl)-N-[5-[1,4,12-tris[5-[phenylmethoxycarbonyl-(phenylmethyl)amino]pentyl]-1,4,8,12-tetrazacyclopentadec-8-yl]pentyl]carbamate

Systemtic Name: (phenylmethyl) N-(phenylmethyl)-N-[5-[1,4,12-tris[5-[phenylmethoxycarbonyl-(phenylmethyl)amino]pentyl]-1,4,8,12-tetrazacyclopentadec-8-yl]pentyl]carbamate Openeye Name: benzyl N-benzyl-N-[5-[1,4,12-tris[5-[benzyl(benzyloxycarbonyl)amino]pentyl]-1,4,8,12-tetrazacyclopentadec-8-yl]pentyl]carbamate CAS Name: N-(phenylmethyl)-N-[5-[1,4,12-tris[5-[phenylmethoxycarbonyl-(phenylmethyl)amino]pentyl]-1,4,8,12-tetrazacyclopentadec-8-yl]pentyl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-benzyl-N-[5-[1,4,12-tris[5-[benzyl(phenylmethoxycarbonyl)amino]pentyl]-1,4,8,12-tetrazacyclopentadec-8-yl]pentyl]carbamate Traditional Name: N-benzyl-N-[5-[1,4,12-tris[5-[benzyl(carbobenzoxy)amino]pentyl]-1,4,8,12-tetrazacyclopentadec-8-yl]pentyl]carbamic acid benzyl ester Formula: C91H118N8O8 MolecularWeight: 1451.95942

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCCN(CCN(CCCN(C1)CCCCCN(CC2=CC=CC=C2)C(=O)OCC3=CC=CC=C3)CCCCCN(CC4=CC=CC=C4)C(=O)OCC5=CC=CC=C5)CCCCCN(CC6=CC=CC=C6)C(=O)OCC7=CC=CC=C7)CCCCCN(CC8=CC=CC=C8)C(=O)OCC9=CC=CC=C9

Isomeric SMILES

C1CN(CCCN(CCN(CCCN(C1)CCCCCN(CC2=CC=CC=C2)C(=O)OCC3=CC=CC=C3)CCCCCN(CC4=CC=CC=C4)C(=O)OCC5=CC=CC=C5)CCCCCN(CC6=CC=CC=C6)C(=O)OCC7=CC=CC=C7)CCCCCN(CC8=CC=CC=C8)C(=O)OCC9=CC=CC=C9

InChI

InChI=1S/C91H118N8O8/c100-88(104-76-84-48-21-5-22-49-84)96(72-80-40-13-1-14-41-80)66-33-9-29-56-92-60-37-61-93(57-30-10-34-67-97(73-81-42-15-2-16-43-81)89(101)105-77-85-50-23-6-24-51-85)63-39-65-95(59-32-12-36-69-99(75-83-46-19-4-20-47-83)91(103)107-79-87-54-27-8-28-55-87)71-70-94(64-38-62-92)58-31-11-35-68-98(74-82-44-17-3-18-45-82)90(102)106-78-86-52-25-7-26-53-86/h1-8,13-28,40-55H,9-12,29-39,56-79H2