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- ChemComp-OTB: TERTIARY-BUTOXYFORMIC ACID -

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ID or keywords:

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Basic information

EntryDatabase: PDB chemical components / ID: OTB
Status

BOC

Status: Obsoleted / Replaced by: BOC
NameName: tertiary-butoxyformic acid

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Chemical information

Composition
Formula: C5H10O3 / Number of atoms: 18 / Formula weight: 118.131 / Formal charge: 0
Others

1odw

Type: L-PEPTIDE LINKING / PDB classification: HETAIN / One letter code: X / Three letter code: OTB / Model coordinates PDB-ID: 1ODW
History
Create componentJul 8, 1999
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 10.04O=C(O)OC(C)(C)C
CACTVS 3.341CC(C)(C)OC(O)=O
OpenEye OEToolkits 1.5.0CC(C)(C)OC(=O)O

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SMILES CANONICAL

CACTVS 3.341CC(C)(C)OC(O)=O
OpenEye OEToolkits 1.5.0CC(C)(C)OC(=O)O

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InChI

InChI 1.02bInChI=1/C5H10O3/c1-5(2,3)8-4(6)7/h1-3H3,(H,6,7)/f/h6H

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InChIKey

InChI 1.02bXKXIQBVKMABYQJ-BRMMOCHJCR

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SYSTEMATIC NAME

ACDLabs 10.04tert-butyl hydrogen carbonate
OpenEye OEToolkits 1.5.0tert-butyl hydrogen carbonate

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