(4s)-4-amino-5-((2r)-1-(carboxymethylamino)-3-((3-(carboxymethylene)-1-(2-cyclopropyl-1-(2-fluorophenyl)-2-oxoethyl)piperidin-4-yl)disulfanyl)-1-oxopropan-2-ylamino)-5-oxopentanoic acid
- Other Name: (4S)-4-amino-5-[[(2R)-1-(carboxymethylamino)-3-[[(3Z)-3-(carboxymethylidene)-1-[2-cyclopropyl-1-(2-fluorophenyl)-2-oxoethyl]piperidin-4-yl]disulfanyl]-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
- InChIKey: INNZXMKKMOQIEU-PFJWJQAKSA-N
- InChI: InChI=1S/C28H35FN4O9S2/c29-18-4-2-1-3-17(18)25(26(40)15-5-6-15)33-10-9-21(16(13-33)11-23(36)37)44-43-14-20(28(42)31-12-24(38)39)32-27(41)19(30)7-8-22(34)35/h1-4,11,15,19-21,25H,5-10,12-14,30H2,(H,31,42)(H,32,41)(H,34,35)(H,36,37)(H,38,39)/b16-11-/t19-,20-,21?,25?/m0/s1
- SMILES: C1CC1C(=O)C(C2=CC=CC=C2F)N3CCC(/C(=C\C(=O)O)/C3)SSC[C@@H](C(=O)NCC(=O)O)NC(=O)[C@H](CCC(=O)O)N
- Exact Mass: 654.18295
- Molecular Formula: C28H35FN4O9S2
-
Compound CID:
118753160
118753160
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.