Analyte Name

(S)-3-(3-(4-(2-Aminoethyl)piperidin-1-yl)-2-(2',4'-dichloro-[1,1'-biphenyl]-3-ylsulfonamido)-3-oxopropyl)benzimidamide

CAS Number

1268874-08-3

Molecular Formula

C29 H33 Cl2 N5 O3 S

Molecular Weight

602.575

Accurate Mass

601.168

SMILES

NCCC1CCN(CC1)C(=O)[C@H](Cc2cccc(c2)C(=N)N)NS(=O)(=O)c3cccc(c3)c4ccc(Cl)cc4Cl

InChI

InChI=1S/C29H33Cl2N5O3S/c30-23-7-8-25(26(31)18-23)21-4-2-6-24(17-21)40(38,39)35-27(16-20-3-1-5-22(15-20)28(33)34)29(37)36-13-10-19(9-12-32)11-14-36/h1-8,15,17-19,27,35H,9-14,16,32H2,(H3,33,34)/t27-/m0/s1

IUPAC

3-[(2S)-3-[4-(2-aminoethyl)piperidin-1-yl]-2-[[3-(2,4-dichlorophenyl)phenyl]sulfonylamino]-3-oxopropyl]benzenecarboximidamide

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat