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- ChemComp-201: 3-AMIDO-5-BIPHENYL-BENZOIC ACID -

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Basic information

EntryDatabase: PDB chemical components / ID: 201
NameName: 3-amido-5-biphenyl-benzoic acid
Synonyms: 5-(AMINOCARBONYL)-1,1':4',1''-TERPHENYL-3-CARBOXYLIC ACID

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Chemical information

Composition
Formula: C20H15NO3 / Number of atoms: 39 / Formula weight: 317.338 / Formal charge: 0
Others

2b0m

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: 201 / Model coordinates PDB-ID: 2B0M
History
Create componentSep 19, 2005
Modify aromatic flagJun 4, 2011
Modify descriptorJun 4, 2011
Modify synonymsMar 13, 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 10.04O=C(c3cc(c2ccc(c1ccccc1)cc2)cc(c3)C(=O)O)N
CACTVS 3.341NC(=O)c1cc(cc(c1)c2ccc(cc2)c3ccccc3)C(O)=O
OpenEye OEToolkits 1.5.0c1ccc(cc1)c2ccc(cc2)c3cc(cc(c3)C(=O)O)C(=O)N

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SMILES CANONICAL

CACTVS 3.341NC(=O)c1cc(cc(c1)c2ccc(cc2)c3ccccc3)C(O)=O
OpenEye OEToolkits 1.5.0c1ccc(cc1)c2ccc(cc2)c3cc(cc(c3)C(=O)O)C(=O)N

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InChI

InChI 1.03InChI=1S/C20H15NO3/c21-19(22)17-10-16(11-18(12-17)20(23)24)15-8-6-14(7-9-15)13-4-2-1-3-5-13/h1-12H,(H2,21,22)(H,23,24)

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InChIKey

InChI 1.03LAZPCGBRHLARSI-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 10.045-carbamoyl-1,1':4',1''-terphenyl-3-carboxylic acid
OpenEye OEToolkits 1.5.03-aminocarbonyl-5-(4-phenylphenyl)benzoic acid

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PDB entries

Showing all 1 items

PDB-2b0m:
Human dihydroorotate dehydrogenase bound to a novel inhibitor

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