3-(((5R,6R)-5-Benzyl-6-hydroxy-2,4-bis[(4-hydroxybenzyl)-3-oxo-1,2,4-triazepin-1-yl]sulfonyl]benzonitrile

Analyte Name

3-(((5R,6R)-5-benzyl-6-hydroxy-2,4-bis((4-hydroxyphenyl)methyl)-3-oxo-1,2,4-triazepan-1-yl)sulfonyl)benzonitrile

CAS Number

744214-38-8

Molecular Formula

C32 H30 N4 O6 S

Molecular Weight

598.669

Accurate Mass

598.189

SMILES

O[C@@H]1CN(N(Cc2ccc(O)cc2)C(=O)N(Cc3ccc(O)cc3)[C@@H]1Cc4ccccc4)S(=O)(=O)c5cccc(c5)C#N

InChI

InChI=1S/C32H30N4O6S/c33-19-26-7-4-8-29(17-26)43(41,42)36-22-31(39)30(18-23-5-2-1-3-6-23)34(20-24-9-13-27(37)14-10-24)32(40)35(36)21-25-11-15-28(38)16-12-25/h1-17,30-31,37-39H,18,20-22H2/t30-,31-/m1/s1

IUPAC

3-[[(5R,6R)-5-benzyl-6-hydroxy-2,4-bis[(4-hydroxyphenyl)methyl]-3-oxo-1,2,4-triazepan-1-yl]sulfonyl]benzonitrile

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat