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- ChemComp-RGL: ARGINAL -

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Basic information

EntryDatabase: PDB chemical components / ID: RGL
NameName: arginal

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Chemical information

Composition
Formula: C6H15N4O / Number of atoms: 26 / Formula weight: 159.209 / Formal charge: 1
Others

2xe4

ARG

Type: L-PEPTIDE LINKING / PDB classification: ATOMP / One letter code: R / Three letter code: RGL / Ideal coordinates details: Corina / Model coordinates PDB-ID: 2XE4 / Parent comp.: ARG
History
Create componentMay 18, 2010
Modify descriptorJun 4, 2011
Modify one letter codeMay 6, 2019
Modify backboneNov 3, 2023
External linksUniChem / ChemSpider / PubChem / Wikipedia search / Google search

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

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Details

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SMILES

ACDLabs 10.04O=CC(N)CCCN\C(=[NH2+])N
CACTVS 3.352N[CH](CCCNC(N)=[NH2+])C=O
OpenEye OEToolkits 1.6.1C(CC(C=O)N)CNC(=[NH2+])N

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SMILES CANONICAL

CACTVS 3.352N[C@@H](CCCNC(N)=[NH2+])C=O
OpenEye OEToolkits 1.6.1C(C[C@@H](C=O)N)CNC(=[NH2+])N

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InChI

InChI 1.03InChI=1S/C6H14N4O/c7-5(4-11)2-1-3-10-6(8)9/h4-5H,1-3,7H2,(H4,8,9,10)/p+1/t5-/m0/s1

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InChIKey

InChI 1.03QJYRUYURLPTHLR-YFKPBYRVSA-O

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SYSTEMATIC NAME

ACDLabs 10.04amino{[(4S)-4-amino-5-oxopentyl]amino}methaniminium
OpenEye OEToolkits 1.6.1[amino-[[(4S)-4-amino-5-oxo-pentyl]amino]methylidene]azanium

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