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JM2

Summary
Name:N~5~-[2-(methylsulfanyl)ethanimidoyl]-L-ornithine
Formula:C8 H17 N3 O2 S
Formal charge:0
Formula weight:219.304 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs11.02N~5~-[(1E)-2-(methylsulfanyl)ethanimidoyl]-L-ornithine
OpenEye OEToolkits1.6.1(2S)-2-azanyl-5-(2-methylsulfanylethanimidoylamino)pentanoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs11.02O=C(O)C(N)CCCNC(=[N@H])CSC
SMILES_CANONICALCACTVS3.352CSCC(=N)NCCC[C@H](N)C(O)=O
SMILESCACTVS3.352CSCC(=N)NCCC[CH](N)C(O)=O
SMILES_CANONICALOpenEye OEToolkits1.7.0[H]/N=C(\CSC)/NCCC[C@@H](C(=O)O)N
SMILESOpenEye OEToolkits1.7.0CSCC(=N)NCCCC(C(=O)O)N
InChIInChI1.03InChI=1S/C8H17N3O2S/c1-14-5-7(10)11-4-2-3-6(9)8(12)13/h6H,2-5,9H2,1H3,(H2,10,11)(H,12,13)/t6-/m0/s1
InChIKeyInChI1.03VXQPBNRYLWZLLJ-LURJTMIESA-N

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PDB entries from 2024-09-18

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