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(Q83122763)
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English
5-Oxo-L-proline, compound with (9S)-10,11-dihydro-6'-methoxycinchonan-9-ol (1:1)
group of stereoisomers with the chemical formula C₂₅H₃₁N₃O₅
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Statements
instance of
group of stereoisomers
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subclass of
chemical compound
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mass
453.22637109199997
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₅H₃₁N₃O₅
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
C=CC1CN2CCC1CC2C(O)c1ccnc2ccc(OC)cc12.O=C(O)C1CCC(O)=N1
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
C=CC1CN2CCC1CC2[C@@H](O)c1ccnc2ccc(OC)cc12.O=C(O)[C@@H]1CCC(O)=N1
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C20H24N2O2.C5H7NO3/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18;7-4-2-1-3(6-4)5(8)9/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3;3H,1-2H2,(H,6,7)(H,8,9)/t13?,14?,19?,20-;3-/m00/s1
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InChIKey
HYAFWGYUMDFMRG-XHRYSQDRSA-N
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CAS Registry Number
93981-56-7
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PubChem CID
44145078
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
50719759
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID10240091
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DSSTOX compound identifier
DTXCID10162582
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