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(Q82908989)
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English
[8a-Methoxy-5-methyl-4,7-dioxo-6-(pentylamino)-1,1a,2,4,7,8,8a,8b-octahydroazireno[2',3':3,4]pyrrolo[1,2-a]indol-8-yl]methyl hydrogen carbonimidate
group of stereoisomers with the chemical formula C₂₀H₂₈N₄O₅
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
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mass
404.205969996
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₀H₂₈N₄O₅
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
CCCCCNC1=C(C)C(=O)C2=C(C1=O)C(COC(=N)O)C1(OC)C3NC3CN21
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
CCCCCNC1=C(C)C(=O)C2=C(C1=O)[C@@H](COC(N)=O)[C@@]1(OC)C3NC3CN21
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C20H28N4O5/c1-4-5-6-7-22-14-10(2)16(25)15-13(17(14)26)11(9-29-19(21)27)20(28-3)18-12(23-18)8-24(15)20/h11-12,18,22-23H,4-9H2,1-3H3,(H2,21,27)/t11-,12?,18?,20-/m1/s1
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InChIKey
XQRNPXLHNAGHEJ-WXRBLJGGSA-N
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CAS Registry Number
14769-02-9
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PubChem CID
26877
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
52340628
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID40933186
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DSSTOX compound identifier
DTXCID801361857
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