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- ChemComp-SN0: N-(3-CARBOXYPROPANOYL)-L-NORVALINE -

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Basic information

EntryDatabase: PDB chemical components / ID: SN0
NameName: N-(3-carboxypropanoyl)-L-norvaline

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Chemical information

Composition
Formula: C9H15NO5 / Number of atoms: 30 / Formula weight: 217.219 / Formal charge: 0
Others

2fg6

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: SN0 / Model coordinates PDB-ID: 2FG6
History
Create componentJan 16, 2006
Modify descriptorJun 4, 2011
External linksUniChem / ChemSpider / 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)CCC)CCC(=O)O
CACTVS 3.341CCC[CH](NC(=O)CCC(O)=O)C(O)=O
OpenEye OEToolkits 1.5.0CCCC(C(=O)O)NC(=O)CCC(=O)O

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SMILES CANONICAL

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

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InChI

InChI 1.03InChI=1S/C9H15NO5/c1-2-3-6(9(14)15)10-7(11)4-5-8(12)13/h6H,2-5H2,1H3,(H,10,11)(H,12,13)(H,14,15)/t6-/m0/s1

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InChIKey

InChI 1.03HRAPDLBXHOBAKA-LURJTMIESA-N

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SYSTEMATIC NAME

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

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PDB entries

Showing all 6 items

PDB-2fg6:
N-succinyl-L-ornithine transcarbamylase from B. fragilis complexed with sulfate and N-succinyl-L-norvaline

PDB-2fg7:
N-succinyl-L-ornithine transcarbamylase from B. fragilis complexed with carbamoyl phosphate and N-succinyl-L-norvaline

PDB-3l02:
Crystal structure of N-acetyl-L-ornithine transcarbamylase E92A mutant complexed with carbamyl phosphate and N-succinyl-L-norvaline

PDB-3l04:
Crystal structure of N-acetyl-L-ornithine transcarbamylase E92P mutant complexed with carbamyl phosphate and N-succinyl-L-norvaline

PDB-3l05:
Crystal structure of N-acetyl-L-ornithine transcarbamylase E92S mutant complexed with carbamyl phosphate and N-succinyl-L-norvaline

PDB-3l06:
Crystal structure of N-acetyl-L-ornithine transcarbamylase E92V mutant complexed with carbamyl phosphate and N-succinyl-L-norvaline

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