Analyte Name

2-[3-(5-Amino-1-tert-butoxycarbonylpentyl)ureido]pentanedioic Acid Di-tert-butyl Ester TFA Salt

Molecular Formula

C33 H56 N5 O8 . C F3 O3 S

Molecular Weight

799.896

Accurate Mass

799.365

SMILES

CC(C)(C)OC(=O)CC[C@H](NC(=O)N[C@@H](CCCCNC(=O)c1ccc(nc1)[N+](C)(C)C)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C.[O-]S(=O)(=O)C(F)(F)F

InChI

InChI=1S/C33H55N5O8.CHF3O3S/c1-31(2,3)44-26(39)19-17-24(29(42)46-33(7,8)9)37-30(43)36-23(28(41)45-32(4,5)6)15-13-14-20-34-27(40)22-16-18-25(35-21-22)38(10,11)12;2-1(3,4)8(5,6)7/h16,18,21,23-24H,13-15,17,19-20H2,1-12H3,(H2-,34,36,37,40,43);(H,5,6,7)/t23-,24-;/m0./s1

IUPAC

[5-[[(5S)-5-[[(2S)-1,5-bis[(2-methylpropan-2-yl)oxy]-1,5-dioxopentan-2-yl]carbamoylamino]-6-[(2-methylpropan-2-yl)oxy]-6-oxohexyl]carbamoyl]pyridin-2-yl]-trimethylazanium;trifluoromethanesulfonate

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat