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(Q82657618)
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English
(3R,4S)-1-(tert-Butoxycarbonyl)-4-(3-hydroxyphenyl)pyrrolidine-3-carboxylic acid
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
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mass
307.141972772
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
chemical formula
C₁₆H₂₁NO₅
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canonical SMILES
CC(C)(C)OC(=O)N1CC(C(=O)O)C(c2cccc(O)c2)C1
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
CC(C)(C)OC(=O)N1C[C@@H]([C@H](C1)C(=O)O)C2=CC(=CC=C2)O
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Identifiers
InChI
InChI=1S/C16H21NO5/c1-16(2,3)22-15(21)17-8-12(13(9-17)14(19)20)10-5-4-6-11(18)7-10/h4-7,12-13,18H,8-9H2,1-3H3,(H,19,20)/t12-,13+/m1/s1
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InChIKey
DPOXPYJPMOPXDB-OLZOCXBDSA-N
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CAS Registry Number
959575-09-8
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PubChem CID
56972008
1 reference
matched by identifier from
InChIKey
InChIKey
DPOXPYJPMOPXDB-OLZOCXBDSA-N
UniChem compound ID
67289582
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID10719313
1 reference
matched by identifier from
InChIKey
InChIKey
DPOXPYJPMOPXDB-OLZOCXBDSA-N
DSSTOX compound identifier
DTXCID90670059
0 references
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