Analyte Name

N,N,N-Tri(benzyloxycarbonyl) Deoxypyridinoline Tri-(tert-butyl) Ester

CAS Number

224629-59-8

Molecular Formula

C54H70N4O13

Molecular Weight

983.15

Accurate Mass

982.4939

SMILES

CC(C)(C)OC(=O)[C@H](CCCC[n+]1cc([O-])c(C[C@H](NC(=O)OCc2ccccc2)C(=O)OC(C)(C)C)c(CC[C@H](NC(=O)OCc3ccccc3)C(=O)OC(C)(C)C)c1)NC(=O)OCc4ccccc4

InChI

InChI=1S/C54H70N4O13/c1-52(2,3)69-46(60)42(55-49(63)66-34-37-21-13-10-14-22-37)27-19-20-30-58-32-40(28-29-43(47(61)70-53(4,5)6)56-50(64)67-35-38-23-15-11-16-24-38)41(45(59)33-58)31-44(48(62)71-54(7,8)9)57-51(65)68-36-39-25-17-12-18-26-39/h10-18,21-26,32-33,42-44H,19-20,27-31,34-36H2,1-9H3,(H3-,55,56,57,59,63,64,65)/t42-,43-,44-/m0/s1

IUPAC

5-[(3S)-4-[(2-methylpropan-2-yl)oxy]-4-oxo-3-(phenylmethoxycarbonylamino)butyl]-1-[(5S)-6-[(2-methylpropan-2-yl)oxy]-6-oxo-5-(phenylmethoxycarbonylamino)hexyl]-4-[(2S)-3-[(2-methylpropan-2-yl)oxy]-3-oxo-2-(phenylmethoxycarbonylamino)propyl]pyridin-1-ium-3-olate

Storage Temperature

+4°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat