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- ChemComp-LMP: (2~{S},3~{R},4~{S})-2-[(2~{S},3~{R})-1,3-bis(oxidanyl)-1-oxidanyl... -

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Basic information

EntryDatabase: PDB chemical components / ID: LMP
NameName: (2~{S},3~{R},4~{S})-2-[(2~{S},3~{R})-1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]-4-[(3~{S},5~{S})-5-(dimethylcarbamoy
Synonyms: Hydrolyzed Meropenem

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Chemical information

Composition
Formula: C17H27N3O6S / Number of atoms: 54 / Formula weight: 401.478 / Formal charge: 0
Others

5axo

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: LMP / Ideal coordinates details: Corina / Model coordinates PDB-ID: 5AXO
History
Create componentMar 18, 2016
Initial releaseMay 11, 2016
Modify synonymsJun 5, 2020
External linksUniChem / ChemSpider / PubChem / PubChem_TPharma / 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

CACTVS 3.385C[CH](O)[CH]([CH]1N=C([CH](S[CH]2CN[CH](C2)C(=O)N(C)C)[CH]1C)C(O)=O)C(O)=O
OpenEye OEToolkits 2.0.4CC1C(C(=NC1C(C(C)O)C(=O)O)C(=O)O)SC2CC(NC2)C(=O)N(C)C

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SMILES CANONICAL

CACTVS 3.385C[C@@H](O)[C@H]([C@@H]1N=C([C@@H](S[C@@H]2CN[C@@H](C2)C(=O)N(C)C)[C@@H]1C)C(O)=O)C(O)=O
OpenEye OEToolkits 2.0.4C[C@H]1[C@@H](C(=N[C@H]1[C@@H]([C@@H](C)O)C(=O)O)C(=O)O)S[C@H]2C[C@H](NC2)C(=O)N(C)C

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InChI

InChI 1.03InChI=1S/C17H27N3O6S/c1-7-12(11(8(2)21)16(23)24)19-13(17(25)26)14(7)27-9-5-10(18-6-9)15(22)20(3)4/h7-12,14,18,21H,5-6H2,1-4H3,(H,23,24)(H,25,26)/t7-,8-,9+,10+,11-,12-,14+/m1/s1

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InChIKey

InChI 1.03CDYPSIIDXKMBLV-CFINEGTKSA-N

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PDB entries

Showing all 6 items

PDB-5axo:
Crystal Structure of Metallo-beta-Lactamase SMB-1 Bound to Hydrolyzed Meropenem

PDB-5n5i:
Crystal Structure of VIM-1 metallo-beta-lactamase in complex with hydrolysed meropenem

PDB-5ypn:
Crystal structure of NDM-1 bound to hydrolyzed meropenem representing an EI2 complex

PDB-6lf4:
Crystal structure of VMB-1 bound to hydrolyzed meropenem

PDB-6r73:
Structure of IMP-13 metallo-beta-lactamase complexed with hydrolysed meropenem

PDB-6uah:
Crystal Structure of the Metallo-beta-Lactamase L1 from Stenotrophomonas maltophilia in the Complex with Hydrolyzed Meropenem

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