(S)-4-amino-5-((R)-1-(carboxymethylamino)-3-(4,5-dihydroxy-2-(4-oxo-2-((R)-1-(N-(pyridin-3-ylmethyl)-2-(4-(trifluoromethoxy)phenyl)acetamido)ethyl)pyrido[2,3-d]pyrimidin-3(4H)-yl)phenylthio)-1-oxopropan-2-ylamino)-5-oxopentanoic acid
- Other Name: (4S)-4-amino-5-[[(2R)-1-(carboxymethylamino)-3-[4,5-dihydroxy-2-[4-oxo-2-[(1R)-1-[pyridin-3-ylmethyl-[2-[4-(trifluoromethoxy)phenyl]acetyl]amino]ethyl]pyrido[2,3-d]pyrimidin-3-yl]phenyl]sulfanyl-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
- InChIKey: XJWSYJJHWRUGNN-AIGMYPEUSA-N
- InChI: InChI=1S/C40H39F3N8O11S/c1-21(50(19-23-4-2-12-45-17-23)32(54)14-22-6-8-24(9-7-22)62-40(41,42)43)36-49-35-25(5-3-13-46-35)39(61)51(36)28-15-29(52)30(53)16-31(28)63-20-27(38(60)47-18-34(57)58)48-37(59)26(44)10-11-33(55)56/h2-9,12-13,15-17,21,26-27,52-53H,10-11,14,18-20,44H2,1H3,(H,47,60)(H,48,59)(H,55,56)(H,57,58)/t21-,26+,27+/m1/s1
- SMILES: C[C@H](C1=NC2=C(C=CC=N2)C(=O)N1C3=CC(=C(C=C3SC[C@@H](C(=O)NCC(=O)O)NC(=O)[C@H](CCC(=O)O)N)O)O)N(CC4=CN=CC=C4)C(=O)CC5=CC=C(C=C5)OC(F)(F)F
- Exact Mass: 896.24111
- Molecular Formula: C40H39F3N8O11S
-
Compound CID:
118753515
118753515
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.