(4R,5S,6S,7R)-5,6-bis(2-methoxyethoxymethoxy)-4,7-bis(phenoxymethyl)-1,3-bis(phenylmethyl)-1,3-diazepan-2-one

Systemtic Name: (4R,5S,6S,7R)-5,6-bis(2-methoxyethoxymethoxy)-4,7-bis(phenoxymethyl)-1,3-bis(phenylmethyl)-1,3-diazepan-2-one Openeye Name: (4R,5S,6S,7R)-1,3-dibenzyl-5,6-bis(2-methoxyethoxymethoxy)-4,7-bis(phenoxymethyl)-1,3-diazepan-2-one CAS Name: (4R,5S,6S,7R)-5,6-bis(2-methoxyethoxymethoxy)-4,7-bis(phenoxymethyl)-1,3-bis(phenylmethyl)-1,3-diazepan-2-one IUPAC Name: (4R,5S,6S,7R)-1,3-dibenzyl-5,6-bis(2-methoxyethoxymethoxy)-4,7-bis(phenoxymethyl)-1,3-diazepan-2-one Traditional Name: (4R,5S,6S,7R)-1,3-dibenzyl-5,6-bis(2-methoxyethoxymethoxy)-4,7-bis(phenoxymethyl)-1,3-diazepan-2-one Formula: C41H50N2O9 MolecularWeight: 714.8437

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COCCOCOC1C(N(C(=O)N(C(C1OCOCCOC)COC2=CC=CC=C2)CC3=CC=CC=C3)CC4=CC=CC=C4)COC5=CC=CC=C5

Isomeric SMILES

COCCOCO[C@H]1[C@H](N(C(=O)N([C@@H]([C@@H]1OCOCCOC)COC2=CC=CC=C2)CC3=CC=CC=C3)CC4=CC=CC=C4)COC5=CC=CC=C5

InChI

InChI=1S/C41H50N2O9/c1-45-23-25-47-31-51-39-37(29-49-35-19-11-5-12-20-35)42(27-33-15-7-3-8-16-33)41(44)43(28-34-17-9-4-10-18-34)38(30-50-36-21-13-6-14-22-36)40(39)52-32-48-26-24-46-2/h3-22,37-40H,23-32H2,1-2H3/t37-,38-,39+,40+/m1/s1