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(Q76006017)
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English
[(2R,3R)-2-[(2,2-dichloroacetyl)amino]-3-hydroxy-3-(4-nitrophenyl)propyl] 2-aminoacetate
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
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mass
379.03379055999994
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
chemical formula
C₁₃H₁₅Cl₂N₃O₆
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canonical SMILES
NCC(=O)OCC(NC(=O)C(Cl)Cl)C(O)c1ccc([N+](=O)[O-])cc1
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
C1=CC(=CC=C1[C@H]([C@@H](COC(=O)CN)NC(=O)C(Cl)Cl)O)[N+](=O)[O-]
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Identifiers
InChI
InChI=1S/C13H15Cl2N3O6/c14-12(15)13(21)17-9(6-24-10(19)5-16)11(20)7-1-3-8(4-2-7)18(22)23/h1-4,9,11-12,20H,5-6,16H2,(H,17,21)/t9-,11-/m1/s1
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InChIKey
OQIFRQVYHYGHRI-MWLCHTKSSA-N
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CAS Registry Number
2980-74-7
1 reference
InChIKey
OQIFRQVYHYGHRI-MWLCHTKSSA-N
stated in
CAS Common Chemistry
retrieved
9 April 2021
reference URL
https://commonchemistry.cas.org/detail?cas_rn=2980-74-7
PubChem CID
83934
1 reference
matched by identifier from
InChIKey
InChIKey
OQIFRQVYHYGHRI-MWLCHTKSSA-N
UniChem compound ID
43325219
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID30952240
1 reference
matched by identifier from
InChIKey
InChIKey
OQIFRQVYHYGHRI-MWLCHTKSSA-N
DSSTOX compound identifier
DTXCID701380339
0 references
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