(2s)-2-amino-5-((2r)-1-(carboxymethylamino)-3-((3-(carboxymethylene)-1-((s)-1-(2-chlorophenyl)-2-methoxy-2-oxoethyl)piperidin-4-yl)disulfanyl)-1-oxopropan-2-ylamino)-5-oxopentanoic acid
- Other Name: (2S)-2-amino-5-[[(2R)-1-(carboxymethylamino)-3-[[(3E)-3-(carboxymethylidene)-1-[(1S)-1-(2-chlorophenyl)-2-methoxy-2-oxoethyl]piperidin-4-yl]disulfanyl]-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
- InChIKey: AYFUAVJLSJTJIU-SJGNYLTRSA-N
- InChI: InChI=1S/C26H33ClN4O10S2/c1-41-26(40)23(15-4-2-3-5-16(15)27)31-9-8-19(14(12-31)10-21(33)34)43-42-13-18(24(37)29-11-22(35)36)30-20(32)7-6-17(28)25(38)39/h2-5,10,17-19,23H,6-9,11-13,28H2,1H3,(H,29,37)(H,30,32)(H,33,34)(H,35,36)(H,38,39)/b14-10+/t17-,18-,19?,23-/m0/s1
- SMILES: COC(=O)[C@H](C1=CC=CC=C1Cl)N2CCC(/C(=C/C(=O)O)/C2)SSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N
- Exact Mass: 660.13266
- Molecular Formula: C26H33ClN4O10S2
-
Compound CID:
118753130
118753130
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.