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DSV

Summary
Name:N-(dibenzo[b,d]thiophen-3-ylsulfonyl)-L-valine
Formula:C17 H17 N O4 S2
Formal charge:0
Formula weight:363.451 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.04N-(dibenzo[b,d]thiophen-3-ylsulfonyl)-L-valine
OpenEye OEToolkits1.5.0(2S)-2-(dibenzothiophen-3-ylsulfonylamino)-3-methyl-butanoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C(O)C(NS(=O)(=O)c2ccc1c3ccccc3sc1c2)C(C)C
SMILES_CANONICALCACTVS3.341CC(C)[C@H](N[S](=O)(=O)c1ccc2c(sc3ccccc23)c1)C(O)=O
SMILESCACTVS3.341CC(C)[CH](N[S](=O)(=O)c1ccc2c(sc3ccccc23)c1)C(O)=O
SMILES_CANONICALOpenEye OEToolkits1.5.0CC(C)[C@@H](C(=O)O)NS(=O)(=O)c1ccc2c3ccccc3sc2c1
SMILESOpenEye OEToolkits1.5.0CC(C)C(C(=O)O)NS(=O)(=O)c1ccc2c3ccccc3sc2c1
InChIInChI1.03InChI=1S/C17H17NO4S2/c1-10(2)16(17(19)20)18-24(21,22)11-7-8-13-12-5-3-4-6-14(12)23-15(13)9-11/h3-10,16,18H,1-2H3,(H,19,20)/t16-/m0/s1
InChIKeyInChI1.03RZWYSEXQXOXWKA-INIZCTEOSA-N

218853

PDB entries from 2024-04-24

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