MSN-50

Analyte Name

N-((2S)-1-(((2R,3S)-3-amino-6-(2-methoxyethoxymethoxy)-2,3-dihydro-1-benzofuran-2-yl)methyl-((4-bromophenyl)methyl)amino)-1-oxo-3-phenylpropan-2-yl)benzamide

CAS Number

1592908-75-2

Molecular Formula

C36 H38 Br N3 O6

Molecular Weight

688.607

Accurate Mass

687.194

SMILES

COCCOCOc1ccc2[C@H](N)[C@@H](CN(Cc3ccc(Br)cc3)C(=O)[C@H](Cc4ccccc4)NC(=O)c5ccccc5)Oc2c1

InChI

InChI=1S/C36H38BrN3O6/c1-43-18-19-44-24-45-29-16-17-30-32(21-29)46-33(34(30)38)23-40(22-26-12-14-28(37)15-13-26)36(42)31(20-25-8-4-2-5-9-25)39-35(41)27-10-6-3-7-11-27/h2-17,21,31,33-34H,18-20,22-24,38H2,1H3,(H,39,41)/t31-,33+,34-/m0/s1

IUPAC

N-[(2S)-1-[[(2R,3S)-3-amino-6-(2-methoxyethoxymethoxy)-2,3-dihydro-1-benzofuran-2-yl]methyl-[(4-bromophenyl)methyl]amino]-1-oxo-3-phenylpropan-2-yl]benzamide

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat