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

Systemtic Name: bis(phenylmethyl) 2-[2,6-bis(phenylmethoxycarbonylamino)hexanoylamino]butanedioate Openeye Name: dibenzyl 2-[2,6-bis(benzyloxycarbonylamino)hexanoylamino]butanedioate CAS Name: 2-[[1-oxo-2,6-bis(phenylmethoxycarbonylamino)hexyl]amino]butanedioic acid bis(phenylmethyl) ester IUPAC Name: dibenzyl 2-[2,6-bis(phenylmethoxycarbonylamino)hexanoylamino]butanedioate Traditional Name: 2-[2,6-bis(benzyloxycarbonylamino)hexanoylamino]succinic acid dibenzyl ester Formula: C40H43N3O9 MolecularWeight: 709.78412

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C40H43N3O9/c44-36(49-26-30-15-5-1-6-16-30)25-35(38(46)50-27-31-17-7-2-8-18-31)42-37(45)34(43-40(48)52-29-33-21-11-4-12-22-33)23-13-14-24-41-39(47)51-28-32-19-9-3-10-20-32/h1-12,15-22,34-35H,13-14,23-29H2,(H,41,47)(H,42,45)(H,43,48)