Ochratoxin-N-acetyl-L-cysteine
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- structure.search.product.name Ochratoxin-N-acetyl-L-cysteine
- Product Code: TRC-O328220
- CAS Number: 1610360-56-9
- Brand: TRC
Product Overview
Product Code
TRC-O328220
CAS Number
Product Format
Neat
Molecular Formula
C25H26N2O9S
Molecular Weight
530.55
Product Categories
Product Type
ContaminantDocumentation
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Product Information
Chemical Data
Analyte Name
Ochratoxin-N-acetyl-L-cysteine
CAS Number
1610360-56-9
Molecular Formula
C25H26N2O9S
Molecular Weight
530.55
Accurate Mass
530.14
SMILES
O=C1O[C@@H](CC2=C1C(O)=C(C=C2SC[C@@H](C(O)=O)NC(C)=O)C(N[C@@H](CC3=CC=CC=C3)C(O)=O)=O)C
InChI
InChI=1S/C25H26N2O9S/c1-12-8-15-19(37-11-18(24(33)34)26-13(2)28)10-16(21(29)20(15)25(35)36-12)22(30)27-17(23(31)32)9-14-6-4-3-5-7-14/h3-7,10,12,17-18,29H,8-9,11H2,1-2H3,(H,26,28)(H,27,30)(H,31,32)(H,33,34)/t12-,17+,18+/m1/s1
IUPAC
N-Acetyl-S-((R)-7-(((S)-1-carboxy-2-phenylethyl)carbamoyl)-8-hydroxy-3-methyl-1-oxoisochroman-5-yl)-L-cysteine
Product Data
Country of Origin
CANADA
Product Type
Contaminant
Product Format
Neat
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