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9DN

Summary
Name:DANSYL-L-ASPARAGINE
Formula:C16 H19 N3 O5 S
Formal charge:0
Formula weight:365.404 Da
Component type:L-PEPTIDE LINKING

Chemical Identifiers

ProgramVersionName
ACDLabs10.04N~2~-{[5-(dimethylamino)naphthalen-1-yl]sulfonyl}-L-asparagine
OpenEye OEToolkits1.6.1(2S)-4-amino-2-[(5-dimethylaminonaphthalen-1-yl)sulfonylamino]-4-oxo-butanoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C(N)CC(C(=O)O)NS(=O)(=O)c1cccc2c1cccc2N(C)C
SMILES_CANONICALCACTVS3.352CN(C)c1cccc2c1cccc2[S](=O)(=O)N[C@@H](CC(N)=O)C(O)=O
SMILESCACTVS3.352CN(C)c1cccc2c1cccc2[S](=O)(=O)N[CH](CC(N)=O)C(O)=O
SMILES_CANONICALOpenEye OEToolkits1.6.1CN(C)c1cccc2c1cccc2S(=O)(=O)N[C@@H](CC(=O)N)C(=O)O
SMILESOpenEye OEToolkits1.6.1CN(C)c1cccc2c1cccc2S(=O)(=O)NC(CC(=O)N)C(=O)O
InChIInChI1.03InChI=1S/C16H19N3O5S/c1-19(2)13-7-3-6-11-10(13)5-4-8-14(11)25(23,24)18-12(16(21)22)9-15(17)20/h3-8,12,18H,9H2,1-2H3,(H2,17,20)(H,21,22)/t12-/m0/s1
InChIKeyInChI1.03LRBOEWHGZIFPKV-LBPRGKRZSA-N

218196

PDB entries from 2024-04-10

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