Analyte Name

NOTAGA-IAC

Molecular Formula

C33 H51 N9 O13 S

Molecular Weight

813.875

Accurate Mass

813.333

SMILES

OC(=O)CN1CCN(CC(=O)O)CCN(CC1)C(CCC(=O)NCCS(=O)(=O)NC(CNC(=O)c2ccc(OCCNC3=NCCCN3)cc2)C(=O)O)C(=O)O

InChI

InChI=1S/C33H51N9O13S/c43-27(7-6-26(32(51)52)42-16-14-40(21-28(44)45)12-13-41(15-17-42)22-29(46)47)34-11-19-56(53,54)39-25(31(49)50)20-38-30(48)23-2-4-24(5-3-23)55-18-10-37-33-35-8-1-9-36-33/h2-5,25-26,39H,1,6-22H2,(H,34,43)(H,38,48)(H,44,45)(H,46,47)(H,49,50)(H,51,52)(H2,35,36,37)

IUPAC

2-[4,7-bis(carboxymethyl)-1,4,7-triazonan-1-yl]-5-[2-[[1-carboxy-2-[[4-[2-(1,4,5,6-tetrahydropyrimidin-2-ylamino)ethoxy]benzoyl]amino]ethyl]sulfamoyl]ethylamino]-5-oxopentanoic acid

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat