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(Q72450576)
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English
(3S,4R)-1-Boc-4-(4-pyridinyl)pyrrolidine-3-carboxylic acid
chemical compound
Boc-(3S,4R)-beta-Pro-4-(4-pyridinyl)-OH
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
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mass
292.14230712
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
chemical formula
C₁₅H₂₀N₂O₄
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canonical SMILES
CC(C)(C)OC(=O)N1CC(C(=O)O)C(c2ccncc2)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=NC=C2
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Identifiers
InChI
InChI=1S/C15H20N2O4/c1-15(2,3)21-14(20)17-8-11(12(9-17)13(18)19)10-4-6-16-7-5-10/h4-7,11-12H,8-9H2,1-3H3,(H,18,19)/t11-,12+/m1/s1
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InChIKey
MFBDFVFXHFCNQX-NEPJUHHUSA-N
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CAS Registry Number
959579-54-5
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PubChem CID
56777110
1 reference
matched by identifier from
InChIKey
InChIKey
MFBDFVFXHFCNQX-NEPJUHHUSA-N
UniChem compound ID
22794018
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID90718506
1 reference
matched by identifier from
InChIKey
InChIKey
MFBDFVFXHFCNQX-NEPJUHHUSA-N
DSSTOX compound identifier
DTXCID00669252
0 references
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