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

Systemtic Name: (4R,5S,6S,7R)-1-butyl-5,6-bis(oxidanyl)-3-phenethyl-4,7-bis(phenylmethyl)-1,3-diazepan-2-one Openeye Name: (4R,5S,6S,7R)-4,7-dibenzyl-1-butyl-5,6-dihydroxy-3-phenethyl-1,3-diazepan-2-one CAS Name: (4R,5S,6S,7R)-1-butyl-5,6-dihydroxy-3-phenethyl-4,7-bis(phenylmethyl)-1,3-diazepan-2-one IUPAC Name: (4R,5S,6S,7R)-4,7-dibenzyl-1-butyl-5,6-dihydroxy-3-phenethyl-1,3-diazepan-2-one Traditional Name: (4R,5S,6S,7R)-4,7-dibenzyl-1-butyl-5,6-dihydroxy-3-phenethyl-1,3-diazepan-2-one Formula: C31H38N2O3 MolecularWeight: 486.64502

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(C(C(C(N(C1=O)CCC2=CC=CC=C2)CC3=CC=CC=C3)O)O)CC4=CC=CC=C4

Isomeric SMILES

CCCCN1[C@@H]([C@@H]([C@H]([C@H](N(C1=O)CCC2=CC=CC=C2)CC3=CC=CC=C3)O)O)CC4=CC=CC=C4

InChI

InChI=1S/C31H38N2O3/c1-2-3-20-32-27(22-25-15-9-5-10-16-25)29(34)30(35)28(23-26-17-11-6-12-18-26)33(31(32)36)21-19-24-13-7-4-8-14-24/h4-18,27-30,34-35H,2-3,19-23H2,1H3/t27-,28-,29+,30+/m1/s1