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- ChemComp-SUG: N~2~-(3-CARBOXYPROPANOYL)-L-ARGININE -

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Basic information

EntryDatabase: PDB chemical components / ID: SUG
NameName: N~2~-(3-carboxypropanoyl)-L-arginine / Synonyms: N~2~-SUCCINYLARGININE

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Chemical information

Composition
Formula: C10H18N4O5 / Number of atoms: 37 / Formula weight: 274.274 / Formal charge: 0
Others

1yni

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: SUG / Model coordinates PDB-ID: 1YNI
History
Create componentFeb 4, 2005
Modify descriptorJun 4, 2011
Modify synonymsJun 5, 2020
External linksUniChem / ChemSpider / Brenda / ChEBI / DrugBank / KEGG_Ligand / Metabolights / NMRShiftDB / Nikkaji / PubChem / SureChEMBL / ZINC / 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=C(NC(C(=O)O)CCCNC(=[N@H])N)CCC(=O)O
CACTVS 3.341NC(=N)NCCC[CH](NC(=O)CCC(O)=O)C(O)=O
OpenEye OEToolkits 1.5.0C(CC(C(=O)O)NC(=O)CCC(=O)O)CNC(=N)N

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SMILES CANONICAL

CACTVS 3.341NC(=N)NCCC[C@H](NC(=O)CCC(O)=O)C(O)=O
OpenEye OEToolkits 1.5.0C(C[C@@H](C(=O)O)NC(=O)CCC(=O)O)CNC(=N)N

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InChI

InChI 1.03InChI=1S/C10H18N4O5/c11-10(12)13-5-1-2-6(9(18)19)14-7(15)3-4-8(16)17/h6H,1-5H2,(H,14,15)(H,16,17)(H,18,19)(H4,11,12,13)/t6-/m0/s1

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InChIKey

InChI 1.03UMOXFSXIFQOWTD-LURJTMIESA-N

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SYSTEMATIC NAME

ACDLabs 10.04N~2~-(3-carboxypropanoyl)-L-arginine
OpenEye OEToolkits 1.5.0(2S)-5-carbamimidamido-2-[(4-hydroxy-4-oxo-butanoyl)amino]pentanoic acid

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PDB entries

Showing all 2 items

PDB-1yni:
Crystal Structure of N-Succinylarginine Dihydrolase, AstB, bound to Substrate and Product, an Enzyme from the Arginine Catabolic Pathway of Escherichia coli

PDB-2p8c:
Crystal structure of N-succinyl Arg/Lys racemase from Bacillus cereus ATCC 14579 complexed with N-succinyl Arg.

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