bis(phenylmethyl) 2-[2,6-bis(phenylmethoxycarbonylamino)hexanoylamino]pentanedioate

Systemtic Name: bis(phenylmethyl) 2-[2,6-bis(phenylmethoxycarbonylamino)hexanoylamino]pentanedioate Openeye Name: dibenzyl 2-[2,6-bis(benzyloxycarbonylamino)hexanoylamino]pentanedioate CAS Name: 2-[[1-oxo-2,6-bis(phenylmethoxycarbonylamino)hexyl]amino]pentanedioic acid bis(phenylmethyl) ester IUPAC Name: dibenzyl 2-[2,6-bis(phenylmethoxycarbonylamino)hexanoylamino]pentanedioate Traditional Name: 2-[2,6-bis(benzyloxycarbonylamino)hexanoylamino]glutaric acid dibenzyl ester Formula: C41H45N3O9 MolecularWeight: 723.8107

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)CCC(C(=O)OCC2=CC=CC=C2)NC(=O)C(CCCCNC(=O)OCC3=CC=CC=C3)NC(=O)OCC4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)CCC(C(=O)OCC2=CC=CC=C2)NC(=O)C(CCCCNC(=O)OCC3=CC=CC=C3)NC(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C41H45N3O9/c45-37(50-27-31-15-5-1-6-16-31)25-24-36(39(47)51-28-32-17-7-2-8-18-32)43-38(46)35(44-41(49)53-30-34-21-11-4-12-22-34)23-13-14-26-42-40(48)52-29-33-19-9-3-10-20-33/h1-12,15-22,35-36H,13-14,23-30H2,(H,42,48)(H,43,46)(H,44,49)