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- ChemComp-DMH: N4,N4-DIMETHYL-ASPARAGINE -

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Basic information

EntryDatabase: PDB chemical components / ID: DMH
NameName: N4,N4-dimethyl-asparagine

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Chemical information

Composition
Formula: C6H12N2O3 / Number of atoms: 23 / Formula weight: 160.171 / Formal charge: 0
Others

1jq7

ASN

Type: L-PEPTIDE LINKING / PDB classification: ATOMP / One letter code: N / Three letter code: DMH / Model coordinates PDB-ID: 1JQ7 / Parent comp.: ASN
History
Create componentAug 24, 2001
Modify descriptorJun 4, 2011
Modify backboneNov 3, 2023
External linksUniChem / ChemSpider / 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(N(C)C)CC(N)C(=O)O
CACTVS 3.341CN(C)C(=O)C[CH](N)C(O)=O
OpenEye OEToolkits 1.5.0CN(C)C(=O)CC(C(=O)O)N

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SMILES CANONICAL

CACTVS 3.341CN(C)C(=O)C[C@H](N)C(O)=O
OpenEye OEToolkits 1.5.0CN(C)C(=O)C[C@@H](C(=O)O)N

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InChI

InChI 1.03InChI=1S/C6H12N2O3/c1-8(2)5(9)3-4(7)6(10)11/h4H,3,7H2,1-2H3,(H,10,11)/t4-/m0/s1

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InChIKey

InChI 1.03AHEBZPSPUGRPFZ-BYPYZUCNSA-N

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SYSTEMATIC NAME

ACDLabs 10.04N,N-dimethyl-L-asparagine
OpenEye OEToolkits 1.5.0(2S)-2-amino-4-dimethylamino-4-oxo-butanoic acid

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PDB entries

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