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(19S)-5,19-diethyl-19-hydroxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),4,6,9,15(20)-hexaene-8,14,18-trione (HCID 178436639)|Huagongshe
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Compound
(19S)-5,19-diethyl-19-hydroxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),4,6,9,15(20)-hexaene-8,14,18-trione
HCID
178436639
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Basic information
Names & identifiers
Properties
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Compound notes
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Basic information
Standard SMILES
CCc1ccc(=O)c2cc3c([nH]c1-2)-c1cc2c(c(=O)n1C3)COC(=O)[C@]2(O)CC
InChIKey
OZESIOWEPLUEAF-QFIPXVFZSA-N
Molecular formula
C22H20N2O5
Average molar mass
392.4 g/mol
Monoisotopic mass
392.13722174
Names & identifiers
IUPAC
(19S)-5,19-diethyl-19-hydroxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),4,6,9,15(20)-hexaene-8,14,18-trione
Database identifiers
PubChem CID
9800670
Properties
Computed structural properties
XLogP
0.1
Topological polar surface area
95.9 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
6
Rotatable bonds
2
Heavy atoms
29
Formal charge
0
Complexity
1,100
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Related reactions
5 records
New reaction record
All
As reactant
As product
As reagent
As catalyst
As solvent
HRID
1037627
As reactant
uspto-grants-2013_10
HRID
1037628
As reactant
uspto-grants-2013_10
HRID
1037629
As reactant
uspto-grants-2013_10
HRID
1665847
As product
uspto-grants-2011_10
HRID
1984990
As product
uspto-grants-2009_06
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Compound notes
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