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6KJ

Summary
Name:(5E)-5-[(N-tert-butoxycarbamimidoyl)imino]-L-norvaline
Formula:C10 H20 N4 O3
Formal charge:0
Formula weight:244.291 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01(5E)-5-[(N-tert-butoxycarbamimidoyl)imino]-L-norvaline
OpenEye OEToolkits1.7.6(2S,5E)-2-azanyl-5-[N-[(2-methylpropan-2-yl)oxy]carbamimidoyl]imino-pentanoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(O)C(N)CC/C=N/C(=[N@H])NOC(C)(C)C
InChIInChI1.03InChI=1S/C10H20N4O3/c1-10(2,3)17-14-9(12)13-6-4-5-7(11)8(15)16/h6-7H,4-5,11H2,1-3H3,(H2,12,14)(H,15,16)/b13-6+/t7-/m0/s1
InChIKeyInChI1.03TUOBZAXIKVQKKU-PQHBYJLHSA-N
SMILES_CANONICALCACTVS3.370CC(C)(C)ONC(=N)N=CCC[C@H](N)C(O)=O
SMILESCACTVS3.370CC(C)(C)ONC(=N)N=CCC[CH](N)C(O)=O
SMILES_CANONICALOpenEye OEToolkits1.7.6[H]/N=C(\NOC(C)(C)C)/N=C/CC[C@@H](C(=O)O)N
SMILESOpenEye OEToolkits1.7.6CC(C)(C)ONC(=N)N=CCCC(C(=O)O)N

222415

PDB entries from 2024-07-10

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