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9TU

Summary
Name:N6-[({3-[3-(trifluoromethyl)-3H-diaziren-3-yl]phenyl}methoxy)carbonyl]-L-lysine
Formula:C16 H19 F3 N4 O4
Formal charge:0
Formula weight:388.342 Da
Component type:peptide linking

Chemical Identifiers

ProgramVersionName
ACDLabs12.01N~6~-[({3-[3-(trifluoromethyl)-3H-diaziren-3-yl]phenyl}methoxy)carbonyl]-L-lysine
OpenEye OEToolkits2.0.6(2~{S})-2-azanyl-6-[[3-[3-(trifluoromethyl)-1,2-diazirin-3-yl]phenyl]methoxycarbonylamino]hexanoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01c2(cc(C1(N=N1)C(F)(F)F)ccc2)COC(=O)NCCCCC(N)C(O)=O
InChIInChI1.03InChI=1S/C16H19F3N4O4/c17-16(18,19)15(22-23-15)11-5-3-4-10(8-11)9-27-14(26)21-7-2-1-6-12(20)13(24)25/h3-5,8,12H,1-2,6-7,9,20H2,(H,21,26)(H,24,25)/t12-/m0/s1
InChIKeyInChI1.03JHAONYPOHPLZAQ-LBPRGKRZSA-N
SMILES_CANONICALCACTVS3.385N[C@@H](CCCCNC(=O)OCc1cccc(c1)C2(N=N2)C(F)(F)F)C(O)=O
SMILESCACTVS3.385N[CH](CCCCNC(=O)OCc1cccc(c1)C2(N=N2)C(F)(F)F)C(O)=O
SMILES_CANONICALOpenEye OEToolkits2.0.6c1cc(cc(c1)C2(N=N2)C(F)(F)F)COC(=O)NCCCC[C@@H](C(=O)O)N
SMILESOpenEye OEToolkits2.0.6c1cc(cc(c1)C2(N=N2)C(F)(F)F)COC(=O)NCCCCC(C(=O)O)N

217705

PDB entries from 2024-03-27

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