Products 135745-46-9

CAS 135745-46-9 is the registry number for Thermopterin. Offered by: MedChemExpress. Available pack sizes: Get quote.

Structural formula: {0} (CAS {1})

2-[[2-[[5-[5-[4-[1-(2-amino-4-oxo-3H-pteridin-7-yl)ethylamino]-2,5-dihydroxyphenyl]-2,3,4-trihydroxypentoxy]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-4-carboxybutanoyl]amino]butanedioic acid (CAS 135745-46-9) is a chemical compound with the molecular formula C33H44N7O21P and a molecular weight of 905.7 g/mol. IUPAC name: 2-[[2-[[5-[5-[4-[1-(2-amino-4-oxo-3H-pteridin-7-yl)ethylamino]-2,5-dihydroxyphenyl]-2,3,4-trihydroxypentoxy]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-4-carboxybutanoyl]amino]butanedioic acid. InChIKey: RDYYPTCITXXAIS-UHFFFAOYSA-N.

Identity
Molecular formulaC33H44N7O21P
Molecular weight905.7 g/mol
IUPAC name2-[[2-[[5-[5-[4-[1-(2-amino-4-oxo-3H-pteridin-7-yl)ethylamino]-2,5-dihydroxyphenyl]-2,3,4-trihydroxypentoxy]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-4-carboxybutanoyl]amino]butanedioic acid
InChIKeyRDYYPTCITXXAIS-UHFFFAOYSA-N
SMILESCC(C1=CN=C2C(=O)NC(=NC2=N1)N)NC3=C(C=C(C(=C3)O)CC(C(C(COC4C(C(C(O4)COP(=O)(O)OC(CCC(=O)O)C(=O)NC(CC(=O)O)C(=O)O)O)O)O)O)O)O

Computed by PubChem (NCBI)

Synonyms: Thermopterin