(2r,2'r)-3,3'-disulfanediylbis(2-(6-carbamoyl-7-methoxyquinolin-4-ylamino)propanoic acid)
- Other Name: (2R)-2-[(6-carbamoyl-7-methoxyquinolin-4-yl)amino]-3-[[(2R)-2-[(6-carbamoyl-7-methoxyquinolin-4-yl)amino]-2-carboxyethyl]disulfanyl]propanoic acid
- InChIKey: WJVUBESQJDSTFC-VXKWHMMOSA-N
- InChI: InChI=1S/C28H28N6O8S2/c1-41-23-9-19-13(7-15(23)25(29)35)17(3-5-31-19)33-21(27(37)38)11-43-44-12-22(28(39)40)34-18-4-6-32-20-10-24(42-2)16(26(30)36)8-14(18)20/h3-10,21-22H,11-12H2,1-2H3,(H2,29,35)(H2,30,36)(H,31,33)(H,32,34)(H,37,38)(H,39,40)/t21-,22-/m0/s1
- SMILES: COC1=CC2=NC=CC(=C2C=C1C(=O)N)N[C@@H](CSSC[C@@H](C(=O)O)NC3=C4C=C(C(=CC4=NC=C3)OC)C(=O)N)C(=O)O
- Exact Mass: 640.14100
- Molecular Formula: C28H28N6O8S2
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Compound CID:
118753337
118753337
Hidden Reactions Filter
Some biological reactions link very small precursors (e.g. CO₂, acetate) to much larger products.
These reactions are correct, but they can create unrealistic shortest paths and connect otherwise separate parts of the graph.
To keep the overview readable, FAIR-TPs hides six such reactions where a <60 Da precursor leads to a >300 Da product in the visualisations.
You can have all these paths in the download output.
You can have all these paths in the download output.
Hidden reaction pairs (precursor → product):
- Acetate → N-(2-benzoyl-4-chlorophenyl)-2-acetamidoacetamide
- Acetate → N-(2-benzoyl-4-chlorophenyl)-2-acetamido-n-methylacetamide
- Carbon dioxide → Formylmethanofuran
- Acrolein → Chembl3706542
- Ethylene oxide → Acetyl-coa
- Formaldehyde → S-hydroxymethylglutathione
Note: In the graph output, up to 100 compounds are displayed for faster visualization. For the full output, please use the export files.
Click on a node or edge to see details here.