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- ChemComp-SLC: SELENO-CAPTOPRIL -

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Basic information

EntryDatabase: PDB chemical components / ID: SLC
NameName: seleno-captopril / Synonyms: 1-[2-(SELANYLMETHYL)ACRYLOYL]-L-PROLINE

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Chemical information

Composition
Formula: C9H13NO3Se / Number of atoms: 27 / Formula weight: 262.164 / Formal charge: 0
Others

2ydm

CC4

PRO

Type: non-polymer / PDB classification: HETAIN / Three letter code: SLC / Ideal coordinates details: Corina / Model coordinates PDB-ID: 2YDM / Subcomponent: CC4, PRO
History
Create componentMar 23, 2011
Modify descriptorJun 4, 2011
Modify synonymsMar 1, 2021
External linksUniChem / ChemSpider / 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)C1N(C(=O)\\C(=C)C[SeH])CCC1
CACTVS 3.370OC(=O)[CH]1CCCN1C(=O)C(=C)C[SeH]
OpenEye OEToolkits 1.7.0C=C(C[SeH])C(=O)N1CCCC1C(=O)O

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SMILES CANONICAL

CACTVS 3.370OC(=O)[C@@H]1CCCN1C(=O)C(=C)C[SeH]
OpenEye OEToolkits 1.7.0C=C(C[SeH])C(=O)N1CCCC1C(=O)O

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InChI

InChI 1.03InChI=1S/C9H13NO3Se/c1-6(5-14)8(11)10-4-2-3-7(10)9(12)13/h7,14H,1-5H2,(H,12,13)/t7-/m0/s1

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InChIKey

InChI 1.03YLSOIJMYGUURIT-ZETCQYMHSA-N

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SYSTEMATIC NAME

ACDLabs 12.011-[2-(selanylmethyl)acryloyl]-L-proline
OpenEye OEToolkits 1.7.01-[2-(selanylmethyl)prop-2-enoyl]pyrrolidine-2-carboxylic acid

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PDB entries

Showing all 2 items

PDB-2ydm:
Structural characterization of angiotensin-I converting enzyme in complex with a selenium analogue of captopril

PDB-3zqz:
CRYSTAL STRUCTURE OF ANCE IN COMPLEX WITH A SELENIUM ANALOGUE OF CAPTOPRIL

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