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U9H : Summary
Code ![](/pdbe/static/images/help.png)
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U9H
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One-letter code ![](/pdbe/static/images/help.png)
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X
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Molecule name ![](/pdbe/static/images/help.png)
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2-cyclobutyl-7-(5-fluoropyridin-3-yl)-5,7-diazaspiro[3.4]octane-6,8-dione
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Systematic names ![](/pdbe/static/images/help.png)
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Formula ![](/pdbe/static/images/help.png)
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C15 H16 F N3 O2
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Formal charge ![](/pdbe/static/images/help.png)
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0
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Molecular weight ![](/pdbe/static/images/help.png)
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289.305 Da
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SMILES ![](/pdbe/static/images/help.png)
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Type | Program | Version | Descriptor |
SMILES
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CACTVS |
3.385 |
Fc1cncc(c1)N2C(=O)N[C]3(C[CH](C3)C4CCC4)C2=O |
SMILES
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OpenEye OEToolkits |
2.0.7 |
c1c(cncc1F)N2C(=O)C3(CC(C3)C4CCC4)NC2=O |
Canonical SMILES
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CACTVS |
3.385 |
Fc1cncc(c1)N2C(=O)N[C@@]3(C[C@H](C3)C4CCC4)C2=O |
Canonical SMILES
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OpenEye OEToolkits |
2.0.7 |
c1c(cncc1F)N2C(=O)C3(CC(C3)C4CCC4)NC2=O |
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IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C15H16FN3O2/c16-11-4-12(8-17-7-11)19-13(20)15(18-14(19)21)5-10(6-15)9-2-1-3-9/h4,7-10H,1-3,5-6H2,(H,18,21)/t10-,15- |
IUPAC InChI key ![](/pdbe/static/images/help.png) | FOZLXSUKKDDCIZ-LGZQZNNBSA-N |
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wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
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37 (21 without Hydrogen)
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Polymer type ![](/pdbe/static/images/help.png)
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Bound ligand
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Type description ![](/pdbe/static/images/help.png)
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non-polymer
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Type code ![](/pdbe/static/images/help.png)
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HETAIN
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Is modified ![](/pdbe/static/images/help.png)
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No
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Standard parent ![](/pdbe/static/images/help.png)
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Not Assigned
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Defined at ![](/pdbe/static/images/help.png)
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2021-02-04
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Last modified at ![](/pdbe/static/images/help.png)
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2022-02-18
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Status ![](/pdbe/static/images/help.png)
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Released
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Obsoleted ![](/pdbe/static/images/help.png)
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Not Assigned
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