Analyte Name

N,N'-Bis((1S,2R)-3-(((4-aminophenyl) sulfonyl)(2-methylpropyl)amino)- 2-hydroxy-1-(phenylmethyl)propyl)-Butanediamide

Molecular Formula

C44H60N6O8S2

Molecular Weight

865.12

Accurate Mass

864.39

SMILES

NC1=CC=C(S(N(CC(C)C)C[C@@H](O)[C@@H](NC(CCC(N[C@H]([C@@H](CN(S(=O)(C(C=C2)=CC=C2N)=O)CC(C)C)O)CC3=CC=CC=C3)=O)=O)CC4=CC=CC=C4)(=O)=O)C=C1

InChI

InChI=1S/C44H60N6O8S2/c1-31(2)27-49(59(55,56)37-19-15-35(45)16-20-37)29-41(51)39(25-33-11-7-5-8-12-33)47-43(53)23-24-44(54)48-40(26-34-13-9-6-10-14-34)42(52)30-50(28-32(3)4)60(57,58)38-21-17-36(46)18-22-38/h5-22,31-32,39-42,51-52H,23-30,45-46H2,1-4H3,(H,47,53)(H,48,54)/t39-,40-,41+,42+/m0/s1

IUPAC

N1,N4-bis((2S,3R)-4-((4-amino-N-isobutylphenyl)sulfonamido)-3-hydroxy-1-phenylbutan-2-yl)succinamide

Country of Origin

CANADA

Product Format

Neat