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11D

Summary
Name:11-({[5-(dimethylamino)naphthalen-1-yl]sulfonyl}amino)undecanoic acid
Synonyms:11-(Dansylamino)undecanoic acid
Formula:C23 H34 N2 O4 S
Formal charge:0
Formula weight:434.592 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.0111-({[5-(dimethylamino)naphthalen-1-yl]sulfonyl}amino)undecanoic acid
OpenEye OEToolkits1.7.011-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]undecanoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(O)CCCCCCCCCCNS(=O)(=O)c2cccc1c(cccc12)N(C)C
SMILES_CANONICALCACTVS3.370CN(C)c1cccc2c1cccc2[S](=O)(=O)NCCCCCCCCCCC(O)=O
SMILESCACTVS3.370CN(C)c1cccc2c1cccc2[S](=O)(=O)NCCCCCCCCCCC(O)=O
SMILES_CANONICALOpenEye OEToolkits1.7.0CN(C)c1cccc2c1cccc2S(=O)(=O)NCCCCCCCCCCC(=O)O
SMILESOpenEye OEToolkits1.7.0CN(C)c1cccc2c1cccc2S(=O)(=O)NCCCCCCCCCCC(=O)O
InChIInChI1.03InChI=1S/C23H34N2O4S/c1-25(2)21-15-11-14-20-19(21)13-12-16-22(20)30(28,29)24-18-10-8-6-4-3-5-7-9-17-23(26)27/h11-16,24H,3-10,17-18H2,1-2H3,(H,26,27)
InChIKeyInChI1.03CEPGVMDMVJGHFQ-UHFFFAOYSA-N

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PDB entries from 2024-04-24

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