(6R,7S,8a-rac)-(4'-Desamino),-5”N-Carboxybenzyl-8-Hydroxy-Glucosepane 6”-Benzyl Ester Hydrochloride Salt

Analyte Name

(6R,7S,8a-rac)-(4'-Desamino),-5''N-Carboxybenzyl-8-Hydroxy-Glucosepane 6''-Benzyl Ester Hydrochloride Salt

Molecular Formula

C33H44ClN5O9

Molecular Weight

690.18

Accurate Mass

689.28

SMILES

[H][N+]1=C(NCCCCC(O)=O)N=C2C1(O)C[C@H](O)[C@H](O)CN2CCCC[C@@H](C(OCC3=CC=CC=C3)=O)NC(OCC4=CC=CC=C4)=O.[Cl]

InChI

InChI=1S/C33H43N5O9.ClH/c39-26-19-33(45)30(36-31(37-33)34-17-9-7-16-28(41)42)38(20-27(26)40)18-10-8-15-25(29(43)46-21-23-11-3-1-4-12-23)35-32(44)47-22-24-13-5-2-6-14-24;/h1-6,11-14,25-27,39-40,45H,7-10,15-22H2,(H,34,37)(H,35,44)(H,41,42);1H/t25-,26-,27+,33?;/m0./s1

IUPAC

(6R,7S)-4-((S)-6-(benzyloxy)-5-(((benzyloxy)carbonyl)amino)-6-oxohexyl)-2-((4-carboxybutyl)amino)-6,7,8a-trihydroxy-4,5,6,7,8,8a-hexahydroimidazo[4,5-b]azepin-1-ium chloride

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat