Analyte Name

Cholic Acid 6-Amino-D-luciferin Amide

Molecular Formula

C35 H47 N3 O6 S2

Molecular Weight

669.894

Accurate Mass

669.291

SMILES

C[C@H](CCC(=O)Nc1ccc2nc(sc2c1)C3=N[C@H](CS3)C(=O)O)[C@H]4CC[C@H]5[C@@H]6[C@H](O)C[C@@H]7C[C@H](O)CC[C@]7(C)[C@H]6C[C@H](O)[C@]45C

InChI

InChI=1S/C35H47N3O6S2/c1-17(4-9-29(42)36-19-5-8-24-27(14-19)46-32(37-24)31-38-25(16-45-31)33(43)44)21-6-7-22-30-23(15-28(41)35(21,22)3)34(2)11-10-20(39)12-18(34)13-26(30)40/h5,8,14,17-18,20-23,25-26,28,30,39-41H,4,6-7,9-13,15-16H2,1-3H3,(H,36,42)(H,43,44)/t17-,18+,20-,21-,22+,23+,25-,26-,28+,30+,34+,35-/m1/s1

IUPAC

(4S)-2-[6-[[(4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]-1,3-benzothiazol-2-yl]-4,5-dihydro-1,3-thiazole-4-carboxylic acid

Country of Origin

CANADA

Product Format

Neat