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(Q82093489)
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(Redirected from
Q83128981
)
English
3,6-Dibenzyl-9,12-di(propan-2-yl)-1,4,7,10-tetrazacyclododecane-2,5,8,11-tetrone
chemical compound
Cyclo(VVFF)
In more languages
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
492.273655632
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₈H₃₆N₄O₄
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
CC(C)C1NC(=O)C(Cc2ccccc2)NC(=O)C(Cc2ccccc2)NC(=O)C(C(C)C)NC1=O
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C28H36N4O4/c1-17(2)23-27(35)30-21(15-19-11-7-5-8-12-19)25(33)29-22(16-20-13-9-6-10-14-20)26(34)31-24(18(3)4)28(36)32-23/h5-14,17-18,21-24H,15-16H2,1-4H3,(H,29,33)(H,30,35)(H,31,34)(H,32,36)
0 references
InChIKey
OWKLJRMFTXDULF-UHFFFAOYSA-N
0 references
CAS Registry Number
24181-12-2
0 references
PubChem CID
424453
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
44206385
1 reference
stated in
UniChem
MassBank accession ID
MSBNK-AAFC-AC000946
1 reference
InChIKey
OWKLJRMFTXDULF-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-AAFC-AC000947
1 reference
InChIKey
OWKLJRMFTXDULF-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-AAFC-AC000949
1 reference
InChIKey
OWKLJRMFTXDULF-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-AAFC-AC000948
1 reference
InChIKey
OWKLJRMFTXDULF-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-AAFC-AC000950
1 reference
InChIKey
OWKLJRMFTXDULF-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
DSSTox substance ID
DTXSID10329850
0 references
DTXSID30894050
0 references
DSSTOX compound identifier
DTXCID40280945
0 references
DTXCID00963409
0 references
NSC number
165678
0 references
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