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- ChemComp-ELL: (2S)-2-azanyl-3-[(3S)-2-oxidanylidenepyrrolidin-3-yl]propanal -

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Basic information

EntryDatabase: PDB chemical components / ID: ELL
NameName: (2S)-2-azanyl-3-[(3S)-2-oxidanylidenepyrrolidin-3-yl]propanal

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Chemical information

Composition
Formula: C7H12N2O2 / Number of atoms: 23 / Formula weight: 156.182 / Formal charge: 0
OthersType: non-polymer / PDB classification: HETAIN / Three letter code: ELL / Ideal coordinates details: Corina
History
Create componentJan 14, 2020
Initial releaseApr 29, 2020
Modify backboneNov 3, 2023
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Structure visualization

Structure viewerMolecule:
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Details

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SMILES

CACTVS 3.385N[CH](C[CH]1CCNC1=O)C=O
OpenEye OEToolkits 2.0.7C1CNC(=O)C1CC(C=O)N

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SMILES CANONICAL

CACTVS 3.385N[C@@H](C[C@@H]1CCNC1=O)C=O
OpenEye OEToolkits 2.0.7C1CNC(=O)[C@@H]1C[C@@H](C=O)N

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InChI

InChI 1.03InChI=1S/C7H12N2O2/c8-6(4-10)3-5-1-2-9-7(5)11/h4-6H,1-3,8H2,(H,9,11)/t5-,6-/m0/s1

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InChIKey

InChI 1.03SWYZRJLGDPTHSU-WDSKDSINSA-N

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PDB entries

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