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(Q82255926)
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English
N-(4-[N,N-bis(2-chloroethyl)amino]-phenoxycarbonyl)-L-glutamic 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
406.0698417199999
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
chemical formula
C₁₆H₂₀Cl₂N₂O₆
0 references
canonical SMILES
O=C(O)CCC(NC(=O)Oc1ccc(N(CCCl)CCCl)cc1)C(=O)O
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
C1=CC(=CC=C1N(CCCl)CCCl)OC(=O)N[C@@H](CCC(=O)O)C(=O)O
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Identifiers
InChI
InChI=1S/C16H20Cl2N2O6/c17-7-9-20(10-8-18)11-1-3-12(4-2-11)26-16(25)19-13(15(23)24)5-6-14(21)22/h1-4,13H,5-10H2,(H,19,25)(H,21,22)(H,23,24)/t13-/m0/s1
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InChIKey
IWDNRGMFTDZABC-ZDUSSCGKSA-N
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CAS Registry Number
156078-79-4
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PubChem CID
10431499
1 reference
matched by identifier from
InChIKey
InChIKey
IWDNRGMFTDZABC-ZDUSSCGKSA-N
UniChem compound ID
347261
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID80439834
1 reference
matched by identifier from
InChIKey
InChIKey
IWDNRGMFTDZABC-ZDUSSCGKSA-N
DSSTOX compound identifier
DTXCID60390656
0 references
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