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Details

Stereochemistry ABSOLUTE
Molecular Formula C22H19N7O6S2
Molecular Weight 541.56
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of DQ-2556

SMILES

[H][C@]12SCC(C[N+]3=CC=C(C=C3)C4=CN=CO4)=C(N1C(=O)[C@H]2NC(=O)C(=N/OC)\C5=CSC(N)=N5)C([O-])=O

InChI

InChIKey=IWIVCNVLSKNJJS-VLMZJYNESA-N
InChI=1S/C22H19N7O6S2/c1-34-27-15(13-9-37-22(23)25-13)18(30)26-16-19(31)29-17(21(32)33)12(8-36-20(16)29)7-28-4-2-11(3-5-28)14-6-24-10-35-14/h2-6,9-10,16,20H,7-8H2,1H3,(H3-,23,25,26,30,32,33)/b27-15-/t16-,20-/m1/s1

HIDE SMILES / InChI

Molecular Formula C22H19N7O6S2
Molecular Weight 541.56
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 1
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 08:13:34 GMT 2023
Edited
by admin
on Sat Dec 16 08:13:34 GMT 2023
Record UNII
FL4GP959ZV
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
DQ-2556
Code English
(6R,7R)-7-((Z)-2-(2-AMINOTHIAZOL-4-YL)-2-(METHOXYIMINO)ACETAMIDO)-3-(4-(OXAZOL-5-YL)-1-PYRIDINIO)METHYL-8-OXO-5-THIA-1-AZABICYCLO(4.2.0)OCT-2-ENE-2-CAR-BOXYLATE
Systematic Name English
DQ 2556
Code English
PYRIDINIUM, 1-(((6R,7R)-7-(((2Z)-(2-AMINO-4-THIAZOLYL)(METHOXYIMINO)ACETYL)AMINO)-2-CARBOXY-8-OXO-5-THIA-1-AZABICYCLO(4.2.0)OCT-2-EN-3-YL)METHYL)-4-(5-OXAZOLYL)-, INNER SALT
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID001026338
Created by admin on Sat Dec 16 08:13:34 GMT 2023 , Edited by admin on Sat Dec 16 08:13:34 GMT 2023
PRIMARY
PUBCHEM
5487112
Created by admin on Sat Dec 16 08:13:34 GMT 2023 , Edited by admin on Sat Dec 16 08:13:34 GMT 2023
PRIMARY
FDA UNII
FL4GP959ZV
Created by admin on Sat Dec 16 08:13:34 GMT 2023 , Edited by admin on Sat Dec 16 08:13:34 GMT 2023
PRIMARY
CAS
102253-70-3
Created by admin on Sat Dec 16 08:13:34 GMT 2023 , Edited by admin on Sat Dec 16 08:13:34 GMT 2023
PRIMARY
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