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(Q76416499)
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English
(2R,3R)-3-methoxy-2-methyl-3-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]propanoic acid
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
287.17327290000003
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
chemical formula
C₁₄H₂₅NO₅
0 references
canonical SMILES
COC(C(C)C(=O)O)C1CCCN1C(=O)OC(C)(C)C
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
C[C@H]([C@H]([C@@H]1CCCN1C(=O)OC(C)(C)C)OC)C(=O)O
0 references
Identifiers
InChI
InChI=1S/C14H25NO5/c1-9(12(16)17)11(19-5)10-7-6-8-15(10)13(18)20-14(2,3)4/h9-11H,6-8H2,1-5H3,(H,16,17)/t9-,10+,11-/m1/s1
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InChIKey
LNEHHTWYEBGHBY-OUAUKWLOSA-N
0 references
CAS Registry Number
120205-50-7
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PubChem CID
11033491
1 reference
matched by identifier from
InChIKey
InChIKey
LNEHHTWYEBGHBY-OUAUKWLOSA-N
SureChEMBL ID
SCHEMBL903564
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
LNEHHTWYEBGHBY-OUAUKWLOSA-N
UniChem compound ID
23650821
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID60452743
2 references
stated in
Mapping file of InChIStrings, InChIKeys and DTXSIDs for the EPA CompTox Dashboard
matched by identifier from
InChIKey
InChIKey
LNEHHTWYEBGHBY-OUAUKWLOSA-N
DSSTOX compound identifier
DTXCID50403562
0 references
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