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- ChemComp-NTB: TERTIARY-BUTYLAMINE -

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ID or keywords:

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Basic information

EntryDatabase: PDB chemical components / ID: NTB
NameName: tertiary-butylamine

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Chemical information

Composition
Formula: C4H11N / Number of atoms: 16 / Formula weight: 73.137 / Formal charge: 0
Others

1hxb

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: NTB / Model coordinates PDB-ID: 1HXB
History
Create componentJul 8, 1999
Modify descriptorJun 4, 2011
External linksUniChem / ChemSpider / Brenda / ChEBI / ChEMBL / ChemicalBook / CompTox / NMRShiftDB / Nikkaji / PubChem / PubChem_TPharma / SureChEMBL / ZINC / 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 10.04NC(C)(C)C
CACTVS 3.341CC(C)(C)N
OpenEye OEToolkits 1.5.0CC(C)(C)N

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SMILES CANONICAL

CACTVS 3.341CC(C)(C)N
OpenEye OEToolkits 1.5.0CC(C)(C)N

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InChI

InChI 1.03InChI=1S/C4H11N/c1-4(2,3)5/h5H2,1-3H3

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InChIKey

InChI 1.03YBRBMKDOPFTVDT-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 10.042-methylpropan-2-amine
OpenEye OEToolkits 1.5.02-methylpropan-2-amine

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PDB entries

Showing all 2 items

PDB-2fgu:
X-ray crystal structure of HIV-1 Protease T80S variant in complex with the inhibitor saquinavir used to explore the role of invariant Thr80 in HIV-1 protease structure, function, and viral infectivity.

PDB-2fgv:
X-ray crystal structure of HIV-1 Protease T80N variant in complex with the inhibitor saquinavir used to explore the role of invariant Thr80 in HIV-1 protease structure, function, and viral infectivity.

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