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Yorodumi- ChemComp-9H7: tert-butyl [(2R,6S,12Z,13aS,14aR,16aS)-14a-[(cyclopropylsulfonyl)... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: 9H7 |
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Name | Name: tert-butyl [(2R,6S,12Z,13aS,14aR,16aS)-14a-[(cyclopropylsulfonyl)carbamoyl]-5,16-dioxo-2-{[3-(thiophen-2-yl)quinoxalin-2-yl]oxy}-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a- ...Name: |
-Chemical information
Composition | Formula: C38H46N6O8S2 / Number of atoms: 100 / Formula weight: 778.937 / Formal charge: 0 | ||||
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Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: 9H7 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 5VP9 | ||||
History |
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External links | UniChem / ChemSpider / PubChem / PubChem_TPharma / SureChEMBL / Wikipedia search / Google search |
-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Details
-SMILES
ACDLabs 12.01 | CACTVS 3.385 | OpenEye OEToolkits 2.0.6 | |
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-SMILES CANONICAL
CACTVS 3.385 | OpenEye OEToolkits 2.0.6 | |
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-InChI
InChI 1.03 |
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-InChIKey
InChI 1.03 |
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-SYSTEMATIC NAME
ACDLabs 12.01 | OpenEye OEToolkits 2.0.6 | ~{ | |
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-PDB entries
Showing all 1 items
PDB-5vp9:
Crystal structure of HCV NS3/4A protease in complex with AM-07, an analogue of 5172-mcP1P3