C67

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Summary

Name:N~5~-[N-(2-carboxyethyl)carbamimidoyl]-L-ornithine
Formula:C9 H18 N4 O4
Formal charge:0
Molecular weight:246.264 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01N~5~-[N-(2-carboxyethyl)carbamimidoyl]-L-ornithine
OpenEye OEToolkits2.0.6(2~{S})-2-azanyl-5-[[~{N}-(3-hydroxy-3-oxopropyl)carbamimidoyl]amino]pentanoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01NC(C(=O)O)CCCN\C(=N)NCCC(O)=O
InChIInChI1.03InChI=1S/C9H18N4O4/c10-6(8(16)17)2-1-4-12-9(11)13-5-3-7(14)15/h6H,1-5,10H2,(H,14,15)(H,16,17)(H3,11,12,13)/t6-/m0/s1
InChIKeyInChI1.03SGNRWCNMYREATQ-LURJTMIESA-N
SMILES_CANONICALCACTVS3.385N[C@@H](CCCNC(=N)NCCC(O)=O)C(O)=O
SMILESCACTVS3.385N[CH](CCCNC(=N)NCCC(O)=O)C(O)=O
SMILES_CANONICALOpenEye OEToolkits2.0.6[H]/N=C(\NCCC[C@@H](C(=O)O)N)/NCCC(=O)O
SMILESOpenEye OEToolkits2.0.6C(CC(C(=O)O)N)CNC(=N)NCCC(=O)O