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- ChemComp-2CG: (1R,2R)-3-[(S)-amino(carboxy)methyl]cyclopropane-1,2-dicarboxylic acid -

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Basic information

EntryDatabase: PDB chemical components / ID: 2CG
NameName: (1R,2R)-3-[(S)-amino(carboxy)methyl]cyclopropane-1,2-dicarboxylic acid
Synonyms: (2S,2'R,3'R)-2-(2',3'-dicarboxycyclopropyl)glycine; DCG IV
Commentagonist*YM

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Chemical information

Composition
Formula: C7H9NO6 / Number of atoms: 23 / Formula weight: 203.149 / Formal charge: 0
OthersType: NON-POLYMER / PDB classification: HETAIN / Three letter code: 2CG / Ideal coordinates details: OpenEye/OEToolkits V1.4.2
History
Create componentJul 16, 2007
Modify descriptorJun 4, 2011
Modify synonymsDec 17, 2019
Modify synonymsJan 25, 2020
External linksUniChem / ChemSpider / BindingDB / ChEMBL / GtoPharmacology / Nikkaji / PubChem / PubChem_TPharma / 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(O)C1C(C(=O)O)C1C(N)C(=O)O
CACTVS 3.341N[CH]([CH]1[CH]([CH]1C(O)=O)C(O)=O)C(O)=O
OpenEye OEToolkits 1.5.0C1(C(C1C(=O)O)C(=O)O)C(C(=O)O)N

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SMILES CANONICAL

CACTVS 3.341N[C@@H]([C@@H]1[C@H]([C@@H]1C(O)=O)C(O)=O)C(O)=O
OpenEye OEToolkits 1.5.0C1([C@H]([C@@H]1C(=O)O)C(=O)O)[C@@H](C(=O)O)N

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InChI

InChI 1.03InChI=1S/C7H9NO6/c8-4(7(13)14)1-2(5(9)10)3(1)6(11)12/h1-4H,8H2,(H,9,10)(H,11,12)(H,13,14)/t2-,3-,4+/m1/s1

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InChIKey

InChI 1.03MATPZHBYOVDBLI-JJYYJPOSSA-N

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SYSTEMATIC NAME

ACDLabs 10.04(1R,2R)-3-[(S)-amino(carboxy)methyl]cyclopropane-1,2-dicarboxylic acid
OpenEye OEToolkits 1.5.0(1R,2R)-3-[(1S)-1-amino-2-hydroxy-2-oxo-ethyl]cyclopropane-1,2-dicarboxylic acid

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PDB entries

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PDB-2e4v:
Crystal structure of the extracellular region of the group II metabotropic glutamate receptor complexed with DCG-IV

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