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(Q82881680)
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English
(1-Acetyl-6-amino-8a-methoxy-5-methyl-4,7-dioxo-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 C₁₇H₂₀N₄O₆
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
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mass
376.13828436
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₇H₂₀N₄O₆
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
COC12C(COC(=N)O)C3=C(C(=O)C(C)=C(N)C3=O)N1CC1C2N1C(C)=O
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
CO[C@]12C3C(CN1C1=C(C(=O)C(N)=C(C)C1=O)[C@H]2COC(N)=O)N3C(C)=O
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C17H20N4O6/c1-6-11(18)14(24)10-8(5-27-16(19)25)17(26-3)15-9(21(15)7(2)22)4-20(17)12(10)13(6)23/h8-9,15H,4-5,18H2,1-3H3,(H2,19,25)/t8-,9?,15?,17-,21?/m1/s1
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InChIKey
RLPARBOQTNGFMR-CXJMUXJASA-N
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CAS Registry Number
1102-95-0
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PubChem CID
14198
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
66668818
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID70911533
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DSSTOX compound identifier
DTXCID601340568
0 references
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