Analyte Name

2,2'-((4-(4',5'-Bis(1,3,2-dithiarsolan-2-yl)-3',6'-dihydroxy-3-oxo-3H-spiro[isobenzofuran-1,9'-xanthen]-5-ylcarboxamido)-2-(2-morpholino-2-oxoethoxy)phenyl)azanediyl)diacetic Acid

CAS Number

1030832-04-2

Molecular Formula

C41 H37 As2 N3 O13 S4

Molecular Weight

1057.848

Accurate Mass

1056.964

SMILES

OC(=O)CN(CC(=O)O)c1ccc(NC(=O)c2ccc3c(c2)C(=O)OC34c5ccc(O)c([As]6SCCS6)c5Oc7c([As]8SCCS8)c(O)ccc47)cc1OCC(=O)N9CCOCC9

InChI

InChI=1S/C41H37As2N3O13S4/c47-29-7-4-26-37(35(29)42-60-13-14-61-42)58-38-27(5-8-30(48)36(38)43-62-15-16-63-43)41(26)25-3-1-22(17-24(25)40(55)59-41)39(54)44-23-2-6-28(46(19-33(50)51)20-34(52)53)31(18-23)57-21-32(49)45-9-11-56-12-10-45/h1-8,17-18,47-48H,9-16,19-21H2,(H,44,54)(H,50,51)(H,52,53)

IUPAC

2-[4-[[4',5'-bis(1,3,2-dithiarsolan-2-yl)-3',6'-dihydroxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-5-carbonyl]amino]-N-(carboxymethyl)-2-(2-morpholin-4-yl-2-oxoethoxy)anilino]acetic acid

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat