C6D

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Summary

Name:N~5~-[N-(3-hydroxypropyl)carbamimidoyl]-L-ornithine
Formula:C9 H20 N4 O3
Formal charge:0
Molecular weight:232.28 Da
Component type:NON-POLYMER

Chemical Identifiers

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

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01NC(C(=O)O)CCCN\C(=N)NCCCO
InChIInChI1.03InChI=1S/C9H20N4O3/c10-7(8(15)16)3-1-4-12-9(11)13-5-2-6-14/h7,14H,1-6,10H2,(H,15,16)(H3,11,12,13)/t7-/m0/s1
InChIKeyInChI1.03YCHONDWDFOKMRR-ZETCQYMHSA-N
SMILES_CANONICALCACTVS3.385N[C@@H](CCCNC(=N)NCCCO)C(O)=O
SMILESCACTVS3.385N[CH](CCCNC(=N)NCCCO)C(O)=O
SMILES_CANONICALOpenEye OEToolkits2.0.6[H]/N=C(\NCCC[C@@H](C(=O)O)N)/NCCCO
SMILESOpenEye OEToolkits2.0.6C(CC(C(=O)O)N)CNC(=N)NCCCO
167132
PDB entries from 2020-07-29