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- ChemComp-RC5: [(2R)-2-{2-[hydroxy(methyl)amino]-2-oxoethyl}-5-phenylpentyl]phos... -

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Basic information

EntryDatabase: PDB chemical components / ID: RC5
NameName: [(2R)-2-{2-[hydroxy(methyl)amino]-2-oxoethyl}-5-phenylpentyl]phosphonic acid

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Chemical information

Composition
Formula: C14H22NO5P / Number of atoms: 43 / Formula weight: 315.302 / Formal charge: 0
Others

4y67

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: RC5 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 4Y67
History
Create componentFeb 12, 2015
Initial releaseApr 1, 2015
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 12.01O=P(O)(O)CC(CCCc1ccccc1)CC(=O)N(O)C
CACTVS 3.385CN(O)C(=O)C[CH](CCCc1ccccc1)C[P](O)(O)=O
OpenEye OEToolkits 1.9.2CN(C(=O)CC(CCCc1ccccc1)CP(=O)(O)O)O

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SMILES CANONICAL

CACTVS 3.385CN(O)C(=O)C[C@@H](CCCc1ccccc1)C[P](O)(O)=O
OpenEye OEToolkits 1.9.2CN(C(=O)C[C@@H](CCCc1ccccc1)CP(=O)(O)O)O

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InChI

InChI 1.03InChI=1S/C14H22NO5P/c1-15(17)14(16)10-13(11-21(18,19)20)9-5-8-12-6-3-2-4-7-12/h2-4,6-7,13,17H,5,8-11H2,1H3,(H2,18,19,20)/t13-/m1/s1

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InChIKey

InChI 1.03YKRNADVNYIPUET-CYBMUJFWSA-N

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SYSTEMATIC NAME

ACDLabs 12.01[(2R)-2-{2-[hydroxy(methyl)amino]-2-oxoethyl}-5-phenylpentyl]phosphonic acid
OpenEye OEToolkits 1.9.2[(2R)-2-[2-[methyl(oxidanyl)amino]-2-oxidanylidene-ethyl]-5-phenyl-pentyl]phosphonic acid

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PDB entries

Showing all 1 items

PDB-4y67:
Structure of Plasmodium falciparum DXR in complex with a beta-substituted fosmidomycin analogue, RC176, and manganese

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