C27 H36 N4 O6 S
A1JSW
(phenylmethyl) ~{N}-[(2~{S})-1-[[(1~{S},2~{S})-1-[4-(1-methoxyethenyl)-1,3-thiazol-2-yl]-1-oxidanyl-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamate
Description
Physiochemical properties
Bound structures
Interaction statistics
Ligand-specific databases
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Synonyms
(phenylmethyl) ~{N}-[(2~{S})-1-[[(1~{S},2~{S})-1-[4-(1-metho...Show more
Formula
Standard InChI
InChI=1S/C27H36N4O6S/c1-16(2)12-21(31-27(35)37-14-18-8-6-5-7-9-18)25(34)29-20(13-19-10-11-28-24(19)33)23(32)26-30-22(15-...Show more
Standard InChI Key
LWGFATQVPSGUTC-FKEBYFGASA-N
SMILES
CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)[C@@H](c2nc(cs2)C(...Show more
Source OpenEye
First observed in
Overall view, and highlighted
scaffolds and fragments ![help icon]()
This image gallery displays several views of the ligand structure:
- Basic Structural Representation: Shows the overall structure of the ligand.
- Detailed Structural Representation: Highlights individual atoms within the ligand.
- Murcko Scaffold: Presents the scaffold of the ligand highlighted in yellow.
- Highlighted Fragments: Displays various ligand fragments, highlighted in yellow.
This image gallery displays several views of the ligand structure:
- Basic Structural Representation: Shows the overall structure of the ligand.
- Detailed Structural Representation: Highlights individual atoms within the ligand.
- Murcko Scaffold: Presents the scaffold of the ligand highlighted in yellow.
- Highlighted Fragments: Displays various ligand fragments, highlighted in yellow.
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