Products 53011-67-9

CAS 53011-67-9 is the registry number for Ochratoxin TA, ISO 17034 RM. Offered by: HPC Standards. Available pack sizes: 10mg.

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

(2S)-2-[(5-chloro-8-hydroxy-3-methyl-1-oxo-3,4-dihydroisochromene-7-carbonyl)amino]-3-(4-hydroxyphenyl)propanoic acid (CAS 53011-67-9) is a chemical compound with the molecular formula C20H18ClNO7 and a molecular weight of 419.8 g/mol. IUPAC name: (2S)-2-[(5-chloro-8-hydroxy-3-methyl-1-oxo-3,4-dihydroisochromene-7-carbonyl)amino]-3-(4-hydroxyphenyl)propanoic acid. InChIKey: NMPHXGOYUUBGIK-POGJTHQKSA-N.

Identity
Molecular formulaC20H18ClNO7
Molecular weight419.8 g/mol
IUPAC name(2S)-2-[(5-chloro-8-hydroxy-3-methyl-1-oxo-3,4-dihydroisochromene-7-carbonyl)amino]-3-(4-hydroxyphenyl)propanoic acid
InChIKeyNMPHXGOYUUBGIK-POGJTHQKSA-N
SMILESCC1CC2=C(C=C(C(=C2C(=O)O1)O)C(=O)N[C@@H](CC3=CC=C(C=C3)O)C(=O)O)Cl

Computed by PubChem (NCBI)