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- ChemComp-M2L: (2R)-2-amino-3-(2-dimethylaminoethylsulfanyl)propanoic acid -

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Basic information

EntryDatabase: PDB chemical components / ID: M2L
NameName: (2R)-2-amino-3-(2-dimethylaminoethylsulfanyl)propanoic acid

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Chemical information

Composition
Formula: C7H16N2O2S / Number of atoms: 28 / Formula weight: 192.279 / Formal charge: 0
Others

3c1c

LYS

Type: L-PEPTIDE LINKING / PDB classification: ATOMP / One letter code: K / Three letter code: M2L / Ideal coordinates details: Corina / Model coordinates PDB-ID: 3C1C / Parent comp.: LYS
History
Create componentApr 9, 2008
Modify descriptorJun 4, 2011
Modify backboneNov 3, 2023
External linksUniChem / ChemSpider / PubChem / SureChEMBL / 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(O)C(N)CSCCN(C)C
CACTVS 3.341CN(C)CCSC[CH](N)C(O)=O
OpenEye OEToolkits 1.5.0CN(C)CCSCC(C(=O)O)N

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SMILES CANONICAL

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

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InChI

InChI 1.03InChI=1S/C7H16N2O2S/c1-9(2)3-4-12-5-6(8)7(10)11/h6H,3-5,8H2,1-2H3,(H,10,11)/t6-/m0/s1

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InChIKey

InChI 1.03XLXDHBGRMHYTIO-LURJTMIESA-N

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SYSTEMATIC NAME

ACDLabs 10.04S-[2-(dimethylamino)ethyl]-L-cysteine
OpenEye OEToolkits 1.5.0(2R)-2-amino-3-(2-dimethylaminoethylsulfanyl)propanoic acid

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PDB entries

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