ChemComp-0X9: N~2~-sulfamoyl-L-arginine

Basic information

• Entry: Database: PDB chemical components / ID: 0X9
• Name: Name: N~2~-sulfamoyl-L-arginine

Chemical information

Composition

Formula: C₆H₁₅N₅O₄S / Number of atoms: 31 / Formula weight: 253.279 / Formal charge: 0

Others

4gm5

ARG

Type: L-peptide linking / PDB classification: ATOMP / Three letter code: 0X9 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 4GM5 / Parent comp.: ARG

History

Create component	Sep 4, 2012
Modify linking type	Sep 4, 2012
Initial release	Aug 21, 2013

• External links: UniChem / ChemSpider / Wikipedia search / Google search

Details

SMILES

• ACDLabs 12.01: O=S(=O)(NC(C(=O)O)CCCNC(=[N@H])N)N
• CACTVS 3.370: NC(=N)NCCC[CH](N[S](N)(=O)=O)C(O)=O
• OpenEye OEToolkits 1.7.6: C(CC(C(=O)O)NS(=O)(=O)N)CNC(=N)N

SMILES CANONICAL

• CACTVS 3.370: NC(=N)NCCC[C@H](N[S](N)(=O)=O)C(O)=O
• OpenEye OEToolkits 1.7.6: [H]/N=C(\N)/NCCC[C@@H](C(=O)O)NS(=O)(=O)N

InChI

• InChI 1.03: InChI=1S/C6H15N5O4S/c7-6(8)10-3-1-2-4(5(12)13)11-16(9,14)15/h4,11H,1-3H2,(H,12,13)(H4,7,8,10)(H2,9,14,15)/t4-/m0/s1

InChIKey

• InChI 1.03: PBEOTCYEZLQJNW-BYPYZUCNSA-N

SYSTEMATIC NAME

• ACDLabs 12.01: N~2~-sulfamoyl-L-arginine
• OpenEye OEToolkits 1.7.6: (2S)-5-carbamimidamido-2-(sulfamoylamino)pentanoic acid

PDB entries

Showing all 4 items

PDB-4gm5:
Carboxypeptidase T with Sulphamoil Arginine

PDB-4z65:
Carboxypeptidase B with Sulphamoil Arginine

PDB-6f6q:
Carboxypeptidase T mutant L254N with Sulphamoil Arginine

PDB-6f79:
Carboxypeptidase T mutant L211Q with Sulphamoil Arginine