Products 189152-21-4

CAS 189152-21-4 appears in our catalog under these names: 3-epi-Ochratoxin A, (3S,14S)-Ochratoxin A, Concentration: 100 µg/ml Solvent: Acetonitrile. Offered by: TRC, Biosynth, HPC Standards. Available pack sizes: 0,5mg, 5mg, 1mg, 10mg, 25mg, 50mg, 1x1ml.

3-epi-Ochratoxin A
TRC, Biosynth
  • size: 0,5mg, 5mg, 1mg, 10mg
  • Variants: 7
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(3S,14S)-Ochratoxin A, Concentration: 100 µg/ml Solvent: Acetonitrile
HPC Standards
  • size: 1x1ml
  • Variants: 1
from 2321.38
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Structural formula: {0} (CAS {1})

(2S)-2-[[(3S)-5-chloro-8-hydroxy-3-methyl-1-oxo-3,4-dihydroisochromene-7-carbonyl]amino]-3-phenylpropanoic acid (CAS 189152-21-4) is a chemical compound with the molecular formula C20H18ClNO6 and a molecular weight of 403.8 g/mol. IUPAC name: (2S)-2-[[(3S)-5-chloro-8-hydroxy-3-methyl-1-oxo-3,4-dihydroisochromene-7-carbonyl]amino]-3-phenylpropanoic acid. InChIKey: RWQKHEORZBHNRI-BONVTDFDSA-N.

Identity
Molecular formulaC20H18ClNO6
Molecular weight403.8 g/mol
IUPAC name(2S)-2-[[(3S)-5-chloro-8-hydroxy-3-methyl-1-oxo-3,4-dihydroisochromene-7-carbonyl]amino]-3-phenylpropanoic acid
InChIKeyRWQKHEORZBHNRI-BONVTDFDSA-N
SMILESC[C@H]1CC2=C(C=C(C(=C2C(=O)O1)O)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)O)Cl

Computed by PubChem (NCBI)

Synonyms: 3-epi-Ochratoxin A, 3S14S-Ochratoxin A, ((S)-5-chloro-8-hydroxy-3-methyl-1-oxoisochromane-7-carbonyl)-L-phenylalanine
Related forms of this compound
(2S)-2-[[(3R)-5-chloro-8-hydroxy-3-methyl-1-oxo-3,4-dihydroisochromene-7-carbonyl]amino]-3-phenylpropanoic acid C20H18ClNO6
(2S)-2-[[(3R)-5-chloro-8-hydroxy-3-methyl-1-oxo-3,4-dihydroisochromene-7-carbonyl]amino]-3-(2,3,4,5,6-pentadeuteriophenyl)propanoic acid C20H18ClNO6
(2S)-2-[[(3S)-5-chloro-8-hydroxy-3-methyl-1-oxo-3,4-dihydroisochromene-7-carbonyl]amino]-3-(2,3,4,5,6-pentadeuteriophenyl)propanoic acid C20H18ClNO6
Isomers (same molecular formula)
5-[4-[2-(4-chlorophenyl)-2-oxoethoxy]carbonylanilino]-5-oxopentanoic acid C20H18ClNO6