Analyte Name

(+)-cis,trans-Abscisic Acid-L-tryptophan

CAS Number

1285591-94-7

Molecular Formula

C26 H30 N2 O5

Molecular Weight

450.527

Accurate Mass

450.215

SMILES

C\C(=C\C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O)\C=C\[C@]3(O)C(=CC(=O)CC3(C)C)C

InChI

InChI=1S/C26H30N2O5/c1-16(9-10-26(33)17(2)12-19(29)14-25(26,3)4)11-23(30)28-22(24(31)32)13-18-15-27-21-8-6-5-7-20(18)21/h5-12,15,22,27,33H,13-14H2,1-4H3,(H,28,30)(H,31,32)/b10-9+,16-11-/t22-,26-/m0/s1

IUPAC

(2S)-2-[[(2Z,4E)-5-[(1R)-1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl]-3-methylpenta-2,4-dienoyl]amino]-3-(1H-indol-3-yl)propanoic acid

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat