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(Q82881773)
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English
N-[5-(Dimethylamino)naphthalene-1-sulfonyl]phenylalanine
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
398.13002818399997
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₁H₂₂N₂O₄S
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
CN(C)c1cccc2c(S(=O)(=O)NC(Cc3ccccc3)C(=O)O)cccc12
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C21H22N2O4S/c1-23(2)19-12-6-11-17-16(19)10-7-13-20(17)28(26,27)22-18(21(24)25)14-15-8-4-3-5-9-15/h3-13,18,22H,14H2,1-2H3,(H,24,25)
0 references
InChIKey
GPIOGTIFRDHWSB-UHFFFAOYSA-N
0 references
CAS Registry Number
1104-36-5
0 references
PubChem CID
102557
2 references
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
matched by identifier from
InChIKey
InChIKey
GPIOGTIFRDHWSB-UHFFFAOYSA-N
UniChem compound ID
23370986
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID00911627
1 reference
matched by identifier from
InChIKey
InChIKey
GPIOGTIFRDHWSB-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID501340660
0 references
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