(phenylmethyl) N-[1-[4,7-bis[3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]-1,4,7,10-tetrazacyclododec-1-yl]-1-oxidanylidene-3-phenyl-propan-2-yl]carbamate

Systemtic Name: (phenylmethyl) N-[1-[4,7-bis[3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]-1,4,7,10-tetrazacyclododec-1-yl]-1-oxidanylidene-3-phenyl-propan-2-yl]carbamate Openeye Name: benzyl N-[1-benzyl-2-[4,7-bis[2-(benzyloxycarbonylamino)-3-phenyl-propanoyl]-1,4,7,10-tetrazacyclododec-1-yl]-2-oxo-ethyl]carbamate CAS Name: N-[1-[4,7-bis[1-oxo-3-phenyl-2-(phenylmethoxycarbonylamino)propyl]-1,4,7,10-tetrazacyclododec-1-yl]-1-oxo-3-phenylpropan-2-yl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[1-[4,7-bis[3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]-1,4,7,10-tetrazacyclododec-1-yl]-1-oxo-3-phenylpropan-2-yl]carbamate Traditional Name: N-[1-benzyl-2-[4,7-bis[2-(benzyloxycarbonylamino)-3-phenyl-propanoyl]-1,4,7,10-tetrazacyclododec-1-yl]-2-keto-ethyl]carbamic acid benzyl ester Formula: C59H65N7O9 MolecularWeight: 1016.1889

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(CCN(CCN1)C(=O)C(CC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3)C(=O)C(CC4=CC=CC=C4)NC(=O)OCC5=CC=CC=C5)C(=O)C(CC6=CC=CC=C6)NC(=O)OCC7=CC=CC=C7

Isomeric SMILES

C1CN(CCN(CCN(CCN1)C(=O)C(CC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3)C(=O)C(CC4=CC=CC=C4)NC(=O)OCC5=CC=CC=C5)C(=O)C(CC6=CC=CC=C6)NC(=O)OCC7=CC=CC=C7

InChI

InChI=1S/C59H65N7O9/c67-54(51(39-45-19-7-1-8-20-45)61-57(70)73-42-48-25-13-4-14-26-48)64-33-31-60-32-34-65(55(68)52(40-46-21-9-2-10-22-46)62-58(71)74-43-49-27-15-5-16-28-49)36-38-66(37-35-64)56(69)53(41-47-23-11-3-12-24-47)63-59(72)75-44-50-29-17-6-18-30-50/h1-30,51-53,60H,31-44H2,(H,61,70)(H,62,71)(H,63,72)