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- ChemComp-M9L: (2~{R})-2-(aminocarbonylamino)-2-(4-hydroxyphenyl)ethanoic acid -

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Basic information

EntryDatabase: PDB chemical components / ID: M9L
NameName: (2~{R})-2-(aminocarbonylamino)-2-(4-hydroxyphenyl)ethanoic acid

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Chemical information

Composition
Formula: C9H10N2O4 / Number of atoms: 25 / Formula weight: 210.187 / Formal charge: 0
Others

8hpc

Type: non-polymer / PDB classification: HETAIN / Three letter code: M9L / Ideal coordinates details: Corina / Model coordinates PDB-ID: 8HPC
History
Create componentDec 23, 2022
Initial releaseDec 20, 2023
External linksUniChem / ChemSpider / Brenda / Nikkaji / PubChem / Wikipedia search / Google search

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

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Details

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SMILES

CACTVS 3.385NC(=O)N[CH](C(O)=O)c1ccc(O)cc1
OpenEye OEToolkits 2.0.7c1cc(ccc1C(C(=O)O)NC(=O)N)O

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SMILES CANONICAL

CACTVS 3.385NC(=O)N[C@@H](C(O)=O)c1ccc(O)cc1
OpenEye OEToolkits 2.0.7c1cc(ccc1[C@H](C(=O)O)NC(=O)N)O

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InChI

InChI 1.06InChI=1S/C9H10N2O4/c10-9(15)11-7(8(13)14)5-1-3-6(12)4-2-5/h1-4,7,12H,(H,13,14)(H3,10,11,15)/t7-/m1/s1

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InChIKey

InChI 1.06GSHIDXLOTQDUAV-SSDOTTSWSA-N

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PDB entries

Showing all 1 items

PDB-8hpc:
Crystal structure of C171A Mutant of N-carbamyl-D-amino acid amidohydrolase complexed with N-carbamyl-D-Hydroxyphenylglycine

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