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- ChemComp-EEL: (2R)-1-[3-sulfanyl-2-(sulfanylmethyl)propanoyl]pyrrolidine-2-carb... -

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Basic information

EntryDatabase: PDB chemical components / ID: EEL
NameName: (2R)-1-[3-sulfanyl-2-(sulfanylmethyl)propanoyl]pyrrolidine-2-carboxylic acid

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Chemical information

Composition
Formula: C9H15NO3S2 / Number of atoms: 30 / Formula weight: 249.35 / Formal charge: 0
Others

6lip

Type: non-polymer / PDB classification: HETAIN / Three letter code: EEL / Ideal coordinates details: Corina / Model coordinates PDB-ID: 6LIP
History
Create componentDec 16, 2019
Initial releaseDec 16, 2020
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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

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Details

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SMILES

CACTVS 3.385OC(=O)[CH]1CCCN1C(=O)C(CS)CS
OpenEye OEToolkits 2.0.7C1CC(N(C1)C(=O)C(CS)CS)C(=O)O

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SMILES CANONICAL

CACTVS 3.385OC(=O)[C@H]1CCCN1C(=O)C(CS)CS
OpenEye OEToolkits 2.0.7C1C[C@@H](N(C1)C(=O)C(CS)CS)C(=O)O

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InChI

InChI 1.03InChI=1S/C9H15NO3S2/c11-8(6(4-14)5-15)10-3-1-2-7(10)9(12)13/h6-7,14-15H,1-5H2,(H,12,13)/t7-/m1/s1

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InChIKey

InChI 1.03CTDDWEHVCFADKZ-SSDOTTSWSA-N

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PDB entries

Showing all 1 items

PDB-6lip:
Crystal structure of NDM-1 in complex with D-captopril derivative wss0218

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