Asp-6-shogaol-Ala

Analyte Name

Asp-6-shogaol-Ala

Molecular Formula

C27 H41 N3 O9 S

Molecular Weight

583.694

Accurate Mass

583.256

SMILES

CCCCCC(CC(=O)CCc1ccc(O)c(OC)c1)SC[C@H](NC(=O)C[C@H](N)C(=O)O)C(=O)N[C@@H](C)C(=O)O

InChI

InChI=1S/C27H41N3O9S/c1-4-5-6-7-19(13-18(31)10-8-17-9-11-22(32)23(12-17)39-3)40-15-21(25(34)29-16(2)26(35)36)30-24(33)14-20(28)27(37)38/h9,11-12,16,19-21,32H,4-8,10,13-15,28H2,1-3H3,(H,29,34)(H,30,33)(H,35,36)(H,37,38)/t16-,19?,20-,21-/m0/s1

IUPAC

(2S)-2-amino-4-[[(2R)-1-[[(1S)-1-carboxyethyl]amino]-3-[1-(4-hydroxy-3-methoxyphenyl)-3-oxodecan-5-yl]sulfanyl-1-oxopropan-2-yl]amino]-4-oxobutanoic acid

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat