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(Q82970686)
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English
3-{N-[Hydroxy(pyrrolidin-2-yl)methylidene]leucyl}-1,3-thiazolidine-2-carboximidic acid
group of stereoisomers with the chemical formula C₁₅H₂₆N₄O₃S
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
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mass
342.172561692
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₅H₂₆N₄O₃S
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
CC(C)CC(N=C(O)C1CCCN1)C(=O)N1CCSC1C(=N)O
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
CC(C)C[C@H](NC(=O)[C@@H]1CCCN1)C(=O)N1CCSC1C(N)=O
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C15H26N4O3S/c1-9(2)8-11(18-13(21)10-4-3-5-17-10)14(22)19-6-7-23-15(19)12(16)20/h9-11,15,17H,3-8H2,1-2H3,(H2,16,20)(H,18,21)/t10-,11-,15?/m0/s1
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InChIKey
RQRVKWAPHOUZJK-AKABHXMESA-N
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CAS Registry Number
65166-59-8
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PubChem CID
127834
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
45900941
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID30983736
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DSSTOX compound identifier
DTXCID201410967
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