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(Q81987770)
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English
Diethyl N-(4-(4-oxobutyl)benzoyl)-L-glutamate
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
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mass
377.183837584
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
chemical formula
C₂₀H₂₇NO₆
0 references
canonical SMILES
CCOC(=O)CCC(NC(=O)c1ccc(CCCC=O)cc1)C(=O)OCC
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
CCOC(=O)CC[C@H](C(=O)OCC)NC(=O)C1=CC=C(C=C1)CCCC=O
0 references
Identifiers
InChI
InChI=1S/C20H27NO6/c1-3-26-18(23)13-12-17(20(25)27-4-2)21-19(24)16-10-8-15(9-11-16)7-5-6-14-22/h8-11,14,17H,3-7,12-13H2,1-2H3,(H,21,24)/t17-/m1/s1
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InChIKey
ZQIWUAMQMRFJEB-QGZVFWFLSA-N
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CAS Registry Number
908145-87-9
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PubChem CID
138395012
1 reference
matched by identifier from
InChIKey
InChIKey
ZQIWUAMQMRFJEB-QGZVFWFLSA-N
UniChem compound ID
167145414
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID70893825
1 reference
matched by identifier from
InChIKey
InChIKey
ZQIWUAMQMRFJEB-QGZVFWFLSA-N
DSSTOX compound identifier
DTXCID401323871
0 references
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