Analyte Name

(2S)-4-amino-N-benzyl-2-(((2S)-2-((1-((2,6-dichlorophenyl)methyl)-3-(pyrrolidin-1-ylmethyl)indol-6-yl)carbamoylamino)-3-(3,4-difluorophenyl)propanoyl)amino)butanamide

CAS Number

252889-88-6

Molecular Formula

C41 H43 Cl2 F2 N7 O3

Molecular Weight

790.728

Accurate Mass

789.277

SMILES

NCC[C@H](NC(=O)[C@H](Cc1ccc(F)c(F)c1)NC(=O)Nc2ccc3c(CN4CCCC4)cn(Cc5c(Cl)cccc5Cl)c3c2)C(=O)NCc6ccccc6

InChI

InChI=1S/C41H43Cl2F2N7O3/c42-32-9-6-10-33(43)31(32)25-52-24-28(23-51-17-4-5-18-51)30-13-12-29(21-38(30)52)48-41(55)50-37(20-27-11-14-34(44)35(45)19-27)40(54)49-36(15-16-46)39(53)47-22-26-7-2-1-3-8-26/h1-3,6-14,19,21,24,36-37H,4-5,15-18,20,22-23,25,46H2,(H,47,53)(H,49,54)(H2,48,50,55)/t36-,37-/m0/s1

IUPAC

(2S)-4-amino-N-benzyl-2-[[(2S)-2-[[1-[(2,6-dichlorophenyl)methyl]-3-(pyrrolidin-1-ylmethyl)indol-6-yl]carbamoylamino]-3-(3,4-difluorophenyl)propanoyl]amino]butanamide

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat