5,5'-((6-(((S)-1-(((S)-6-Amino-1-carboxyhexyl)amino)-6-(4-carboxybutanamido)-1-oxohexan-2-yl)amino)-6-oxohexane-1,5-diyl)bis(azanediyl))bis(5-oxopentanoic acid)

Analyte Name

5,5'-((6-(((S)-1-(((S)-6-Amino-1-carboxyhexyl)amino)-6-(4-carboxybutanamido)-1-oxohexan-2-yl)amino)-6-oxohexane-1,5-diyl)bis(azanediyl))bis(5-oxopentanoic acid)

Molecular Formula

C34 H58 N6 O13

Molecular Weight

758.857

Accurate Mass

758.406

SMILES

NCCCCC[C@H](NC(=O)[C@H](CCCCNC(=O)CCCC(=O)O)NC(=O)C(CCCCNC(=O)CCCC(=O)O)NC(=O)CCCC(=O)O)C(=O)O

InChI

InChI=1S/C34H58N6O13/c35-20-5-1-2-13-25(34(52)53)40-33(51)24(12-4-7-22-37-27(42)15-9-18-30(46)47)39-32(50)23(38-28(43)16-10-19-31(48)49)11-3-6-21-36-26(41)14-8-17-29(44)45/h23-25H,1-22,35H2,(H,36,41)(H,37,42)(H,38,43)(H,39,50)(H,40,51)(H,44,45)(H,46,47)(H,48,49)(H,52,53)/t23?,24-,25-/m0/s1

IUPAC

(2S)-7-amino-2-[[(2S)-2-[2,6-bis(4-carboxybutanoylamino)hexanoylamino]-6-(4-carboxybutanoylamino)hexanoyl]amino]heptanoic acid

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat