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- ChemComp-0MI: 1-[(2~{R},4~{S},5~{R})-5-[[(azanylidene-$l^{4}-azanylidene)amino]... -

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Basic information

EntryDatabase: PDB chemical components / ID: 0MI
NameName: 1-[(2~{R},4~{S},5~{R})-5-[[(azanylidene-$l^{4}-azanylidene)amino]methyl]-4-oxidanyl-oxolan-2-yl]-5-methyl-pyrimidine-2,4-dione

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Chemical information

Composition
Formula: C10H14N5O4 / Number of atoms: 33 / Formula weight: 268.249 / Formal charge: 0
Others

7n7u

Type: non-polymer / PDB classification: HETAIN / Three letter code: 0MI / Ideal coordinates details: Corina / Model coordinates PDB-ID: 7N7U
History
Create componentJun 14, 2021
Initial releaseSep 8, 2021
External linksUniChem / ChemSpider / 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 3.385CC1=CN([CH]2C[CH](O)[CH](CN=[N]=N)O2)C(=O)NC1=O
OpenEye OEToolkits 2.0.7CC1=CN(C(=O)NC1=O)C2CC(C(O2)CN=[N]=N)O

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SMILES CANONICAL

CACTVS 3.385CC1=CN([C@H]2C[C@H](O)[C@@H](CN=[N]=N)O2)C(=O)NC1=O
OpenEye OEToolkits 2.0.7CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CN=[N]=N)O

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InChI

InChI 1.03InChI=1S/C10H14N5O4/c1-5-4-15(10(18)13-9(5)17)8-2-6(16)7(19-8)3-12-14-11/h4,6-8,11,16H,2-3H2,1H3,(H,13,17,18)/t6-,7+,8+/m0/s1

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InChIKey

InChI 1.03WPGIPVMLNBRRLK-XLPZGREQSA-N

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PDB entries

Showing all 1 items

PDB-7n7u:
Crystal Structure of SARS-CoV-2 NendoU in complex with LIZA-7

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