(4R,5S,6S,7R)-1,3-bis(5,5-dimethyl-6-oxidanyl-hexyl)-5,6-bis(oxidanyl)-4,7-bis(phenylmethyl)-1,3-diazepan-2-one

Systemtic Name: (4R,5S,6S,7R)-1,3-bis(5,5-dimethyl-6-oxidanyl-hexyl)-5,6-bis(oxidanyl)-4,7-bis(phenylmethyl)-1,3-diazepan-2-one Openeye Name: (4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-1,3-bis(6-hydroxy-5,5-dimethyl-hexyl)-1,3-diazepan-2-one CAS Name: (4R,5S,6S,7R)-5,6-dihydroxy-1,3-bis(6-hydroxy-5,5-dimethylhexyl)-4,7-bis(phenylmethyl)-1,3-diazepan-2-one IUPAC Name: (4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-1,3-bis(6-hydroxy-5,5-dimethylhexyl)-1,3-diazepan-2-one Traditional Name: (4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-1,3-bis(6-hydroxy-5,5-dimethyl-hexyl)-1,3-diazepan-2-one Formula: C35H54N2O5 MolecularWeight: 582.81366

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CCCCN1C(C(C(C(N(C1=O)CCCCC(C)(C)CO)CC2=CC=CC=C2)O)O)CC3=CC=CC=C3)CO

Isomeric SMILES

CC(C)(CCCCN1[C@@H]([C@@H]([C@H]([C@H](N(C1=O)CCCCC(C)(C)CO)CC2=CC=CC=C2)O)O)CC3=CC=CC=C3)CO

InChI

InChI=1S/C35H54N2O5/c1-34(2,25-38)19-11-13-21-36-29(23-27-15-7-5-8-16-27)31(40)32(41)30(24-28-17-9-6-10-18-28)37(33(36)42)22-14-12-20-35(3,4)26-39/h5-10,15-18,29-32,38-41H,11-14,19-26H2,1-4H3/t29-,30-,31+,32+/m1/s1