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(Q82799117)
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English
N-[(2S)-1-(Methylamino)-4-(methylsulfanyl)-1-oxobutan-2-yl]-4-nitrobenzamide
chemical compound
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Statements
instance of
type of chemical entity
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subclass of
chemical compound
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mass
311.09397702399997
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
chemical formula
C₁₃H₁₇N₃O₄S
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canonical SMILES
CNC(=O)C(CCSC)NC(=O)c1ccc([N+](=O)[O-])cc1
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
CNC(=O)[C@H](CCSC)NC(=O)C1=CC=C(C=C1)[N+](=O)[O-]
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Identifiers
InChI
InChI=1S/C13H17N3O4S/c1-14-13(18)11(7-8-21-2)15-12(17)9-3-5-10(6-4-9)16(19)20/h3-6,11H,7-8H2,1-2H3,(H,14,18)(H,15,17)/t11-/m0/s1
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InChIKey
IBBHFKGSXCKQLF-NSHDSACASA-N
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CAS Registry Number
61315-67-1
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PubChem CID
71396972
1 reference
matched by identifier from
InChIKey
InChIKey
IBBHFKGSXCKQLF-NSHDSACASA-N
UniChem compound ID
47401744
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID10818491
1 reference
matched by identifier from
InChIKey
InChIKey
IBBHFKGSXCKQLF-NSHDSACASA-N
DSSTOX compound identifier
DTXCID70769233
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