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(Q82902218)
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English
CID 131495
group of stereoisomers with the chemical formula C₂₅H₄₈N₆O₃
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
0 references
mass
480.378789396
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₅H₄₈N₆O₃
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
CCCCCCCCCC1NC(=N)NC2(CCCO2)C1C(=O)OCCCCCCCNC(=N)N
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
CCCCCCCCC[C@@H]1NC(=N)NC2(CCCO2)[C@@H]1C(=O)OCCCCCCCNC(=N)N
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C25H48N6O3/c1-2-3-4-5-6-8-11-15-20-21(25(16-14-19-34-25)31-24(28)30-20)22(32)33-18-13-10-7-9-12-17-29-23(26)27/h20-21H,2-19H2,1H3,(H4,26,27,29)(H3,28,30,31)/t20-,21-,25?/m0/s1
0 references
InChIKey
WKQBILXUHOSLDZ-ZLTNKZLJSA-N
0 references
CAS Registry Number
132210-63-0
0 references
PubChem CID
131495
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
65673708
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID80927589
0 references
DSSTOX compound identifier
DTXCID801356375
0 references
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