Analyte Name

FURA-PE3/AM

CAS Number

172890-84-5

Molecular Formula

C55H63N5O29

Molecular Weight

1258.12

Accurate Mass

1257.36

SMILES

O=C(OCOC(=O)C)C=1OC(=NC1)C=2OC=3C=C(C(OCCOC4=CC(=CC=C4N(CC(=O)OCOC(=O)C)CC(=O)OCOC(=O)C)CCC(=O)N5CCN(CC(=O)OCOC(=O)C)CC5)=CC3C2)N(CC(=O)OCOC(=O)C)CC(=O)OCOC(=O)C

InChI

InChI=1S/C55H63N5O29/c1-33(61)76-27-82-49(68)22-57-11-13-58(14-12-57)48(67)10-8-39-7-9-41(59(23-50(69)83-28-77-34(2)62)24-51(70)84-29-78-35(3)63)44(17-39)74-15-16-75-45-18-40-19-46(54-56-21-47(89-54)55(73)87-32-81-38(6)66)88-43(40)20-42(45)60(25-52(71)85-30-79-36(4)64)26-53(72)86-31-80-37(5)65/h7,9,17-21H,8,10-16,22-32H2,1-6H3

IUPAC

(Acetyloxy)methyl 4-[3-[3-[2-[[2-[5-[[(acetyloxy)methoxy]carbonyl]-2-oxazolyl]-6-[bis[2-[(acetyloxy)methoxy]-2-oxoethyl]amino]-5-benzofuranyl]oxy]ethoxy]-4-[bis[2-[(acetyloxy)methoxy]-2-oxoethyl]amino]phenyl]-1-oxopropyl]-1-piperazineacetate

Country of Origin

CANADA

Product Format

Neat