chembl3706525
- Other Name: (3S)-4-(((1S,2R)-1-Benzyl-3-((3S,4AS,8AS)-3-((1,1-dimethylethyl)carbamoyl)octahydroisoquinolin-2(1H)-YL)-2-hydroxypropyl)amino)-4-oxo-3-((quinolin-2-ylcarbonyl)amino)butanoic acid
- InChIKey: ROBIWNSFIUPVJO-UGJKXSETSA-N
- InChI: InChI=1S/C38H49N5O6/c1-38(2,3)42-37(49)32-20-26-14-7-8-15-27(26)22-43(32)23-33(44)30(19-24-11-5-4-6-12-24)40-36(48)31(21-34(45)46)41-35(47)29-18-17-25-13-9-10-16-28(25)39-29/h4-6,9-13,16-18,26-27,30-33,44H,7-8,14-15,19-23H2,1-3H3,(H,40,48)(H,41,47)(H,42,49)(H,45,46)/t26-,27+,30-,31-,32-,33+/m0/s1
- SMILES: CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2CN1C[C@H]([C@H](CC3=CC=CC=C3)NC(=O)[C@H](CC(=O)O)NC(=O)C4=NC5=CC=CC=C5C=C4)O
- Exact Mass: 671.36828
- Molecular Formula: C38H49N5O6
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Compound CID:
122197280
122197280
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.