(phenylmethyl) N-(phenylmethyl)-N-[5-[4,8,11-tris[5-[phenylmethoxycarbonyl-(phenylmethyl)amino]pentyl]-1,4,8,11-tetrazacyclotetradec-1-yl]pentyl]carbamate

Systemtic Name: (phenylmethyl) N-(phenylmethyl)-N-[5-[4,8,11-tris[5-[phenylmethoxycarbonyl-(phenylmethyl)amino]pentyl]-1,4,8,11-tetrazacyclotetradec-1-yl]pentyl]carbamate Openeye Name: benzyl N-benzyl-N-[5-[4,8,11-tris[5-[benzyl(benzyloxycarbonyl)amino]pentyl]-1,4,8,11-tetrazacyclotetradec-1-yl]pentyl]carbamate CAS Name: N-(phenylmethyl)-N-[5-[4,8,11-tris[5-[phenylmethoxycarbonyl-(phenylmethyl)amino]pentyl]-1,4,8,11-tetrazacyclotetradec-1-yl]pentyl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-benzyl-N-[5-[4,8,11-tris[5-[benzyl(phenylmethoxycarbonyl)amino]pentyl]-1,4,8,11-tetrazacyclotetradec-1-yl]pentyl]carbamate Traditional Name: N-benzyl-N-[5-[4,8,11-tris[5-[benzyl(carbobenzoxy)amino]pentyl]-1,4,8,11-tetrazacyclotetradec-1-yl]pentyl]carbamic acid benzyl ester Formula: C90H116N8O8 MolecularWeight: 1437.93284

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(CCCN(CCN(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(CCN(CCCN(CCN(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/C90H116N8O8/c99-87(103-75-83-47-21-5-22-48-83)95(71-79-39-13-1-14-40-79)63-33-9-29-55-91-59-37-60-93(57-31-11-35-65-97(73-81-43-17-3-18-44-81)89(101)105-77-85-51-25-7-26-52-85)69-70-94(58-32-12-36-66-98(74-82-45-19-4-20-46-82)90(102)106-78-86-53-27-8-28-54-86)62-38-61-92(68-67-91)56-30-10-34-64-96(72-80-41-15-2-16-42-80)88(100)104-76-84-49-23-6-24-50-84/h1-8,13-28,39-54H,9-12,29-38,55-78H2