Analyte Name

(alphaR)-alpha-(((1S)-1-Carboxy-2-(4-hydroxyphenyl)ethyl)(3-carboxy-1-oxopropyl)amino)-alpha-((4-hydroxyphenyl)methyl)-2,5-dioxo-1-pyrrolidineacetic Acid

CAS Number

1260610-91-0

Molecular Formula

C26H26N2O11

Molecular Weight

542.50

Accurate Mass

542.15

SMILES

OC(C=C1)=CC=C1C[C@@H](C(O)=O)N(C(CCC(O)=O)=O)[C@@](C(O)=O)(N2C(CCC2=O)=O)CC3=CC=C(C=C3)O

InChI

InChI=1S/C26H26N2O11/c29-17-5-1-15(2-6-17)13-19(24(36)37)27(20(31)11-12-23(34)35)26(25(38)39,28-21(32)9-10-22(28)33)14-16-3-7-18(30)8-4-16/h1-8,19,29-30H,9-14H2,(H,34,35)(H,36,37)(H,38,39)/t19-,26+/m0/s1

IUPAC

4-[[(1R)-1-carboxy-1-(2,5-dioxopyrrolidin-1-yl)-2-(4-hydroxyphenyl)ethyl]-[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]amino]-4-oxobutanoic acid

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat