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- ChemComp-NV6: (2~{S})-2-(aminocarbonylamino)-3-(4-hydroxyphenyl)propanoic acid -

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Basic information

EntryDatabase: PDB chemical components / ID: NV6
NameName: (2~{S})-2-(aminocarbonylamino)-3-(4-hydroxyphenyl)propanoic acid

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Chemical information

Composition
Formula: C10H12N2O4 / Number of atoms: 28 / Formula weight: 224.213 / Formal charge: 0
Others

8aq0

Type: non-polymer / PDB classification: HETAIN / Three letter code: NV6 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 8AQ0
History
Create componentAug 23, 2022
Initial releaseNov 16, 2022
External linksUniChem / ChemSpider / 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

CACTVS 3.385NC(=O)N[CH](Cc1ccc(O)cc1)C(O)=O
OpenEye OEToolkits 3.1.0.0c1cc(ccc1CC(C(=O)O)NC(=O)N)O

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SMILES CANONICAL

CACTVS 3.385NC(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O
OpenEye OEToolkits 3.1.0.0c1cc(ccc1C[C@@H](C(=O)O)NC(=O)N)O

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InChI

InChI 1.06InChI=1S/C10H12N2O4/c11-10(16)12-8(9(14)15)5-6-1-3-7(13)4-2-6/h1-4,8,13H,5H2,(H,14,15)(H3,11,12,16)/t8-/m0/s1

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InChIKey

InChI 1.06PNLKYZVGQWCHBH-QMMMGPOBSA-N

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PDB entries

Showing all 1 items

PDB-8aq0:
Crystal structure of L-N-Carbamoylase from Sinorhizobium meliloti mutant L217G/F329C

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