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(Q82983002)
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English
2,9-Diamino-5-[amino(carboxy)methyl]-6-oxodecanedioic acid
group of stereoisomers with the chemical formula C₁₂H₂₁N₃O₇
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
0 references
mass
319.137950012
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₂H₂₁N₃O₇
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
NC(CCC(=O)C(CCC(N)C(=O)O)C(N)C(=O)O)C(=O)O
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
N[C@H](CCC(C(=O)CC[C@H](N)C(=O)O)[C@H](N)C(=O)O)C(=O)O
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C12H21N3O7/c13-6(10(17)18)2-1-5(9(15)12(21)22)8(16)4-3-7(14)11(19)20/h5-7,9H,1-4,13-15H2,(H,17,18)(H,19,20)(H,21,22)/t5?,6-,7+,9+/m1/s1
0 references
InChIKey
PARIWXLJGXMMNN-PLNIMILXSA-N
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CAS Registry Number
71974-09-9
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PubChem CID
194426
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
55708407
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID70992665
0 references
DSSTOX compound identifier
DTXCID801419731
0 references
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