Analyte Name

methyl 3-((3S)-7-bromo-2-((2-hydroxypropyl)amino)-5-(pyridin-2-yl)-3H-benzo[e][1,4]diazepin-3-yl)propanoate

CAS Number

308243-54-1

Molecular Formula

C21 H23 Br N4 O3

Molecular Weight

459.336

Accurate Mass

458.095

SMILES

COC(=O)CC[C@@H]1N=C(c2ccccn2)c3cc(Br)ccc3N=C1NCC(C)O

InChI

InChI=1S/C21H23BrN4O3/c1-13(27)12-24-21-18(8-9-19(28)29-2)25-20(17-5-3-4-10-23-17)15-11-14(22)6-7-16(15)26-21/h3-7,10-11,13,18,27H,8-9,12H2,1-2H3,(H,24,26)/t13?,18-/m0/s1

IUPAC

methyl 3-[(3S)-7-bromo-2-(2-hydroxypropylamino)-5-pyridin-2-yl-3H-1,4-benzodiazepin-3-yl]propanoate

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat