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- ChemComp-PSQ: NDELTA-(N'-SULPHODIAMINOPHOSPHINYL)-L-ORNITHINE -

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Basic information

EntryDatabase: PDB chemical components / ID: PSQ
NameName: ndelta-(N'-sulphodiaminophosphinyl)-L-ornithine

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Chemical information

Composition
Formula: C5H15N4O6PS / Number of atoms: 32 / Formula weight: 290.235 / Formal charge: 0
Others

1duv

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: PSQ / Model coordinates PDB-ID: 1DUV
History
Create componentJan 27, 2000
Modify descriptorJun 4, 2011
External linksUniChem / ChemSpider / DrugBank / 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

ACDLabs 10.04O=P(NCCCC(C(=O)O)N)(NS(=O)(=O)O)N
CACTVS 3.341N[CH](CCCN[P](N)(=O)N[S](O)(=O)=O)C(O)=O
OpenEye OEToolkits 1.5.0C(CC(C(=O)O)N)CNP(=O)(N)NS(=O)(=O)O

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SMILES CANONICAL

CACTVS 3.341N[C@@H](CCCN[P@@](N)(=O)N[S](O)(=O)=O)C(O)=O
OpenEye OEToolkits 1.5.0C(C[C@@H](C(=O)O)N)CN[P@](=O)(N)NS(=O)(=O)O

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InChI

InChI 1.03InChI=1S/C5H15N4O6PS/c6-4(5(10)11)2-1-3-8-16(7,12)9-17(13,14)15/h4H,1-3,6H2,(H,10,11)(H,13,14,15)(H4,7,8,9,12)/t4-,16+/m0/s1

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InChIKey

InChI 1.03MDGVOXPIIICZEK-FOIQGAMDSA-N

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SYSTEMATIC NAME

ACDLabs 10.04N~5~-[(R)-amino(sulfoamino)phosphoryl]-L-ornithine
OpenEye OEToolkits 1.5.0(2S)-2-amino-5-[[amino-(sulfoamino)phosphoryl]amino]pentanoic acid

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PDB entries

Showing all 1 items

PDB-1duv:
CRYSTAL STRUCTURE OF E. COLI ORNITHINE TRANSCARBAMOYLASE COMPLEXED WITH NDELTA-L-ORNITHINE-DIAMINOPHOSPHINYL-N-SULPHONIC ACID (PSORN)

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