Chemical Compound

3',5'-Dinitro-N-Acetyl-L-Thyronine-CoA; (Acyl-CoA); [M+H]+;

3',5'-Dinitro-N-Acetyl-L-Thyronine-CoA; (Acyl-CoA); [M+H]+; chemical structure
Primary Record

3',5'-Dinitro-N-Acetyl-L-Thyronine-CoA; (Acyl-CoA); [M+H]+;

In stock
550 g
Purity
98.1 %

Compound Identifiers & Properties

PubChem CID
155489569
SMILES
CC(=O)NC(CC1=CC=C(C=C1)OC2=CC(=C(C(=C2)[N+](=O)[O-])O)[N+](=O)[O-])C(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OCC3C(C(C(O3)N4C=NC5=C(N=CN=C54)N)O)OP(=O)(O)O)O
Canonical SMILES
CC(=O)NC(Cc1ccc(Oc2cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c2)cc1)C(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O

Names & Synonyms

  • 3',5'-Dinitro-N-Acetyl-L-Thyronine-CoA; (Acyl-CoA); [M+H]+;