(4-(((2-amino-4a-hydroxy-5-methyl-4-oxo-1,4,4a,5,6,7,8,8a-octahydropteridin-6-yl)methyl)amino)benzoyl)-L-glutamic acid

Analyte Name

(4-(((2-amino-4a-hydroxy-5-methyl-4-oxo-1,4,4a,5,6,7,8,8a-octahydropteridin-6-yl)methyl)amino)benzoyl)-L-glutamic acid

CAS Number

33157-08-3

Molecular Formula

C20 H27 N7 O7

Molecular Weight

477.471

Accurate Mass

477.197

SMILES

CN1C(CNc2ccc(cc2)C(=O)N[C@@H](CCC(=O)O)C(=O)O)CNC3NC(=NC(=O)C13O)N

InChI

InChI=1S/C20H27N7O7/c1-27-12(9-23-17-20(27,34)18(33)26-19(21)25-17)8-22-11-4-2-10(3-5-11)15(30)24-13(16(31)32)6-7-14(28)29/h2-5,12-13,17,22-23,34H,6-9H2,1H3,(H,24,30)(H,28,29)(H,31,32)(H3,21,25,26,33)/t12?,13-,17?,20?/m0/s1

IUPAC

(2S)-2-[[4-[(2-amino-4a-hydroxy-5-methyl-4-oxo-6,7,8,8a-tetrahydro-1H-pteridin-6-yl)methylamino]benzoyl]amino]pentanedioic acid

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat