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- ChemComp-LBP: (2S)-2-amino-4-(S-butyl-N-phosphonosulfonimidoyl)butanoic acid -

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Basic information

EntryDatabase: PDB chemical components / ID: LBP
NameName: (2S)-2-amino-4-(S-butyl-N-phosphonosulfonimidoyl)butanoic acid

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Chemical information

Composition
Formula: C8H19N2O6PS / Number of atoms: 37 / Formula weight: 302.285 / Formal charge: 0
Others

3lvv

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: LBP / Ideal coordinates details: Corina / Model coordinates PDB-ID: 3LVV
History
Create componentMar 9, 2010
Modify descriptorJun 4, 2011
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=S(=NP(=O)(O)O)(CCC(N)C(=O)O)CCCC
CACTVS 3.370CCCC[S](=O)(CC[CH](N)C(O)=O)=N[P](O)(O)=O
OpenEye OEToolkits 1.7.0CCCCS(=NP(=O)(O)O)(=O)CCC(C(=O)O)N

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SMILES CANONICAL

CACTVS 3.370CCCC[S@](=O)(CC[C@H](N)C(O)=O)=N[P](O)(O)=O
OpenEye OEToolkits 1.7.0CCCC[S@](=NP(=O)(O)O)(=O)CC[C@@H](C(=O)O)N

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InChI

InChI 1.03InChI=1S/C8H19N2O6PS/c1-2-3-5-18(16,10-17(13,14)15)6-4-7(9)8(11)12/h7H,2-6,9H2,1H3,(H,11,12)(H2,13,14,15)/t7-,18-/m0/s1

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InChIKey

InChI 1.03ZUVPFRZYYQZWPS-VIIUKITBSA-N

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SYSTEMATIC NAME

ACDLabs 12.01(2S)-2-amino-4-(S-butyl-N-phosphonosulfonimidoyl)butanoic acid
OpenEye OEToolkits 1.7.0(2S)-2-azanyl-4-(S-butyl-N-phosphono-sulfonimidoyl)butanoic acid

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PDB entries

Showing all 1 items

PDB-3lvv:
BSO-inhibited ScGCL

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