(4R,5S,6S,7R)-1,3-bis(5-morpholin-4-ylpentyl)-5,6-bis(oxidanyl)-4,7-bis(phenylmethyl)-1,3-diazepan-2-one dihydrochloride

Systemtic Name: (4R,5S,6S,7R)-1,3-bis(5-morpholin-4-ylpentyl)-5,6-bis(oxidanyl)-4,7-bis(phenylmethyl)-1,3-diazepan-2-one dihydrochloride Openeye Name: (4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-1,3-bis(5-morpholinopentyl)-1,3-diazepan-2-one dihydrochloride CAS Name: (4R,5S,6S,7R)-5,6-dihydroxy-1,3-bis[5-(4-morpholinyl)pentyl]-4,7-bis(phenylmethyl)-1,3-diazepan-2-one dihydrochloride IUPAC Name: (4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-1,3-bis(5-morpholin-4-ylpentyl)-1,3-diazepan-2-one dihydrochloride Traditional Name: (4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-1,3-bis(5-morpholinopentyl)-1,3-diazepan-2-one dihydrochloride Formula: C37H58Cl2N4O5 MolecularWeight: 709.78622

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CCCCCN2C(C(C(C(N(C2=O)CCCCCN3CCOCC3)CC4=CC=CC=C4)O)O)CC5=CC=CC=C5.Cl.Cl

Isomeric SMILES

C1COCCN1CCCCCN2[C@@H]([C@@H]([C@H]([C@H](N(C2=O)CCCCCN3CCOCC3)CC4=CC=CC=C4)O)O)CC5=CC=CC=C5.Cl.Cl

InChI

InChI=1S/C37H56N4O5.2ClH/c42-35-33(29-31-13-5-1-6-14-31)40(19-11-3-9-17-38-21-25-45-26-22-38)37(44)41(20-12-4-10-18-39-23-27-46-28-24-39)34(36(35)43)30-32-15-7-2-8-16-32;;/h1-2,5-8,13-16,33-36,42-43H,3-4,9-12,17-30H2;2*1H/t33-,34-,35+,36+;;/m1../s1