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- ChemComp-L4C: (2E)-2-{[(2S)-2-(ACETYLAMINO)-2-CARBOXYETHOXY]IMINO}PENTANEDIOIC ACID -

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Basic information

EntryDatabase: PDB chemical components / ID: L4C
NameName: (2E)-2-{[(2S)-2-(acetylamino)-2-carboxyethoxy]imino}pentanedioic acid
Synonyms: LACTIVICIN
Commentantibiotic*YM

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Chemical information

Composition
Formula: C10H14N2O8 / Number of atoms: 34 / Formula weight: 290.227 / Formal charge: 0
OthersType: NON-POLYMER / PDB classification: HETAIN / Three letter code: L4C / Ideal coordinates details: OpenEye/OEToolkits V1.4.2
History
Create componentJan 15, 2007
Modify descriptorJun 4, 2011
Modify synonymsJun 5, 2020
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 10.04O=C(O)\C(=N\OCC(NC(=O)C)C(=O)O)CCC(=O)O
CACTVS 3.341CC(=O)N[CH](CON=C(CCC(O)=O)C(O)=O)C(O)=O
OpenEye OEToolkits 1.5.0CC(=O)NC(CON=C(CCC(=O)O)C(=O)O)C(=O)O

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SMILES CANONICAL

CACTVS 3.341CC(=O)N[C@@H](CO\N=C(/CCC(O)=O)C(O)=O)C(O)=O
OpenEye OEToolkits 1.5.0CC(=O)N[C@@H](CO/N=C(\CCC(=O)O)/C(=O)O)C(=O)O

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InChI

InChI 1.03InChI=1S/C10H14N2O8/c1-5(13)11-7(10(18)19)4-20-12-6(9(16)17)2-3-8(14)15/h7H,2-4H2,1H3,(H,11,13)(H,14,15)(H,16,17)(H,18,19)/b12-6+/t7-/m0/s1

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InChIKey

InChI 1.03ULEFFWARYSNNRF-NYYVKIQXSA-N

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SYSTEMATIC NAME

ACDLabs 10.04(2E)-2-{[(2S)-2-(acetylamino)-2-carboxyethoxy]imino}pentanedioic acid
OpenEye OEToolkits 1.5.0(2E)-2-[(2S)-2-acetamido-3-hydroxy-3-oxo-propoxy]iminopentanedioic acid

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PDB entries

Showing all 2 items

PDB-2je5:
STRUCTURAL AND MECHANISTIC BASIS OF PENICILLIN BINDING PROTEIN INHIBITION BY LACTIVICINS

PDB-2x71:
Structural basis for the interaction of lactivicins with serine beta- lactamases

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