(s)-4-amino-5-((r)-1-(carboxymethylamino)-3-(1-(4-methylpiperazin-1-yl)-5h-dibenzo[b,e][1,4]diazepin-8-ylthio)-1-oxopropan-2-ylamino)-5-oxopentanoic acid
- Other Name: (4S)-4-amino-5-[[(2R)-1-(carboxymethylamino)-3-[[6-(4-methylpiperazin-1-yl)-11H-benzo[b][1,4]benzodiazepin-3-yl]sulfanyl]-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
- InChIKey: ONKUJAFPYCTGCY-CVDCTZTESA-N
- InChI: InChI=1S/C28H35N7O6S/c1-34-10-12-35(13-11-34)26-18-4-2-3-5-20(18)31-21-8-6-17(14-22(21)32-26)42-16-23(28(41)30-15-25(38)39)33-27(40)19(29)7-9-24(36)37/h2-6,8,14,19,23,31H,7,9-13,15-16,29H2,1H3,(H,30,41)(H,33,40)(H,36,37)(H,38,39)/t19-,23-/m0/s1
- SMILES: CN1CCN(CC1)C2=NC3=C(C=CC(=C3)SC[C@@H](C(=O)NCC(=O)O)NC(=O)[C@H](CCC(=O)O)N)NC4=CC=CC=C42
- Exact Mass: 597.23695
- Molecular Formula: C28H35N7O6S
-
Compound CID:
136961846
136961846
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.