(s)-4-amino-5-((r)-1-(carboxymethylamino)-3-(8-chloro-11-(4-methylpiperazin-1-yl)-5h-dibenzo[b,e][1,4]diazepin-6-ylthio)-1-oxopropan-2-ylamino)-5-oxopentanoic acid
- Other Name: (4S)-4-amino-5-[[(2R)-1-(carboxymethylamino)-3-[[3-chloro-6-(4-methylpiperazin-1-yl)-11H-benzo[b][1,4]benzodiazepin-1-yl]sulfanyl]-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
- InChIKey: ACAYKYZTNOYVMH-RXVVDRJESA-N
- InChI: InChI=1S/C28H34ClN7O6S/c1-35-8-10-36(11-9-35)26-17-4-2-3-5-19(17)32-25-20(33-26)12-16(29)13-22(25)43-15-21(28(42)31-14-24(39)40)34-27(41)18(30)6-7-23(37)38/h2-5,12-13,18,21,32H,6-11,14-15,30H2,1H3,(H,31,42)(H,34,41)(H,37,38)(H,39,40)/t18-,21-/m0/s1
- SMILES: CN1CCN(CC1)C2=NC3=C(C(=CC(=C3)Cl)SC[C@@H](C(=O)NCC(=O)O)NC(=O)[C@H](CCC(=O)O)N)NC4=CC=CC=C42
- Exact Mass: 631.19798
- Molecular Formula: C28H34ClN7O6S
-
Compound CID:
136961845
136961845
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.