β-D-Glucopyranosiduronic acid, 2-[[(5-nitro-2-thiazolyl)amino]carbonyl]phenyl, methyl ester, 2,3,4-triacetate
CAS Registry Number®
221287-92-9
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CAS Name
β-D-Glucopyranosiduronic acid, 2-[[(5-nitro-2-thiazolyl)amino]carbonyl]phenyl, methyl ester, 2,3,4-triacetateMolecular Formula
C23H23N3O13SMolecular Mass
581.51Cite this Page
β-D-Glucopyranosiduronic acid, 2-[[(5-nitro-2-thiazolyl)amino]carbonyl]phenyl, methyl ester, 2,3,4-triacetate. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=221287-92-9 (retrieved ) (CAS RN: 221287-92-9). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C23H23N3O13S/c1-10(27)35-16-17(36-11(2)28)19(37-12(3)29)22(39-18(16)21(31)34-4)38-14-8-6-5-7-13(14)20(30)25-23-24-9-15(40-23)26(32)33/h5-9,16-19,22H,1-4H3,(H,24,25,30)/t16-,17-,18-,19+,22+/m0/s1
InChIKey
InChIKey=JZMCAGQTKJRRDM-NJCLPOECSA-N
SMILES
O(C(C)=O)[C@@H]1[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](C(OC)=O)O[C@H]1OC2=C(C(NC=3SC(N(=O)=O)=CN3)=O)C=CC=C2
Canonical SMILES
O=C(OC1C(OC=2C=CC=CC2C(=O)NC3=NC=C(S3)N(=O)=O)OC(C(=O)OC)C(OC(=O)C)C1OC(=O)C)C
Other Names for this Substance
- β-D-Glucopyranosiduronic acid, 2-[[(5-nitro-2-thiazolyl)amino]carbonyl]phenyl, methyl ester, 2,3,4-triacetate
