Alvimopan beta-D-Glucuronide

Nazwa analitu

Alvimopan beta-D-Glucuronide

Wzór cząsteczkowy

C31 H40 N2 O10

Masa cząsteczkowa

600.657

Dokładna masa

600.268

SMILES

C[C@H]1CN(C[C@H](Cc2ccccc2)C(=O)NCC(=O)O)CC[C@@]1(C)c3cccc(O[C@@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4O)C(=O)O)c3

InChI

InChI=1S/C31H40N2O10/c1-18-16-33(17-20(28(39)32-15-23(34)35)13-19-7-4-3-5-8-19)12-11-31(18,2)21-9-6-10-22(14-21)42-30-26(38)24(36)25(37)27(43-30)29(40)41/h3-10,14,18,20,24-27,30,36-38H,11-13,15-17H2,1-2H3,(H,32,39)(H,34,35)(H,40,41)/t18-,20-,24-,25-,26+,27-,30+,31+/m0/s1

IUPAC

(2S,3S,4S,5R,6S)-6-[3-[(3R,4R)-1-[(2S)-2-benzyl-3-(carboxymethylamino)-3-oxopropyl]-3,4-dimethylpiperidin-4-yl]phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid

Kraj pochodzenia

CANADA

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