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- ChemComp-3K4: (2S,3S)-3-methylaziridine-2-carboxylic acid -

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ID or keywords:

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Basic information

EntryDatabase: PDB chemical components / ID: 3K4
NameName: (2S,3S)-3-methylaziridine-2-carboxylic acid

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Chemical information

Composition
Formula: C4H7NO2 / Number of atoms: 14 / Formula weight: 101.104 / Formal charge: 0
Others

4r17

Type: L-PEPTIDE LINKING / PDB classification: ATOMP / Three letter code: 3K4 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 4R17
History
Create componentAug 29, 2014
Modify leaving atom flagAug 29, 2014
Initial releaseOct 15, 2014
External linksUniChem / ChemSpider / PubChem / 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 12.01O=C(O)C1NC1C
CACTVS 3.385C[CH]1N[CH]1C(O)=O
OpenEye OEToolkits 1.7.6CC1C(N1)C(=O)O

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SMILES CANONICAL

CACTVS 3.385C[C@@H]1N[C@@H]1C(O)=O
OpenEye OEToolkits 1.7.6C[C@H]1[C@H](N1)C(=O)O

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InChI

InChI 1.03InChI=1S/C4H7NO2/c1-2-3(5-2)4(6)7/h2-3,5H,1H3,(H,6,7)/t2-,3-/m0/s1

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InChIKey

InChI 1.03QOISFPILRGBKKL-HRFVKAFMSA-N

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SYSTEMATIC NAME

ACDLabs 12.01(2S,3S)-3-methylaziridine-2-carboxylic acid
OpenEye OEToolkits 1.7.6(2S,3S)-3-methylaziridine-2-carboxylic acid

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PDB entries

Showing all 2 items

PDB-4r17:
Ligand-induced aziridine-formation at subunit beta5 of the yeast 20S proteasome

PDB-5lai:
Ligand-induced aziridine-formation at the yeast proteasomal subunit beta5 by sulfonate esters

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