atazanavir metabolite m5
- Other Name: methyl N-[(2S)-1-[[(2S,3S)-3-hydroxy-4-[(2-hydroxy-4-pyridin-2-ylphenyl)methyl-[[(2S)-2-(methoxycarbonylamino)-3,3-dimethylbutanoyl]amino]amino]-1-phenylbutan-2-yl]amino]-3,3-dimethyl-1-oxobutan-2-yl]carbamate
- InChIKey: SKHQVCNTXHZGQK-JSSJSZTNSA-N
- InChI: InChI=1S/C38H52N6O8/c1-37(2,3)31(41-35(49)51-7)33(47)40-28(20-24-14-10-9-11-15-24)30(46)23-44(43-34(48)32(38(4,5)6)42-36(50)52-8)22-26-18-17-25(21-29(26)45)27-16-12-13-19-39-27/h9-19,21,28,30-32,45-46H,20,22-23H2,1-8H3,(H,40,47)(H,41,49)(H,42,50)(H,43,48)/t28-,30-,31+,32+/m0/s1
- SMILES: CC(C)(C)[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)[C@H](CN(CC2=C(C=C(C=C2)C3=CC=CC=N3)O)NC(=O)[C@H](C(C)(C)C)NC(=O)OC)O)NC(=O)OC
- Exact Mass: 720.38466
- Molecular Formula: C38H52N6O8
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Compound CID:
169502128
169502128
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.