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- ChemComp-1OS: [(R)-amino(4-carbamimidoylphenyl)methyl]phosphonic acid -

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Basic information

EntryDatabase: PDB chemical components / ID: 1OS
NameName: [(R)-amino(4-carbamimidoylphenyl)methyl]phosphonic acid

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Chemical information

Composition
Formula: C8H12N3O3P / Number of atoms: 27 / Formula weight: 229.173 / Formal charge: 0
Others

4k5p

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: 1OS / Ideal coordinates details: Corina / Model coordinates PDB-ID: 4K5P
History
Create componentApr 15, 2013
Initial releaseJun 12, 2013
External linksUniChem / ChemSpider / PubChem / 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 12.01O=P(O)(O)C(N)c1ccc(cc1)C(=[N@H])N
CACTVS 3.370N[CH](c1ccc(cc1)C(N)=N)[P](O)(O)=O
OpenEye OEToolkits 1.7.6c1cc(ccc1C(N)P(=O)(O)O)C(=N)N

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SMILES CANONICAL

CACTVS 3.370N[C@@H](c1ccc(cc1)C(N)=N)[P](O)(O)=O
OpenEye OEToolkits 1.7.6[H]/N=C(\c1ccc(cc1)[C@H](N)P(=O)(O)O)/N

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InChI

InChI 1.03InChI=1S/C8H12N3O3P/c9-7(10)5-1-3-6(4-2-5)8(11)15(12,13)14/h1-4,8H,11H2,(H3,9,10)(H2,12,13,14)/t8-/m1/s1

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InChIKey

InChI 1.03FMFJDMQBKYAGQW-MRVPVSSYSA-N

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SYSTEMATIC NAME

ACDLabs 12.01[(R)-amino(4-carbamimidoylphenyl)methyl]phosphonic acid
OpenEye OEToolkits 1.7.6[(R)-azanyl-(4-carbamimidoylphenyl)methyl]phosphonic acid

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PDB entries

Showing all 1 items

PDB-4k5p:
Phosphonic Arginine Mimetics as Inhibitors of the M1 Aminopeptidases from Plasmodium falciparum

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