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1N0 : Summary
Code
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1N0
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One-letter code
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X
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Molecule name
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1,1'-hexane-1,6-diyldipyrrolidine-2,5-dione
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Systematic names
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Formula
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C14 H20 N2 O4
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Formal charge
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0
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Molecular weight
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280.32 Da
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SMILES
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Type | Program | Version | Descriptor |
SMILES
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ACDLabs |
12.01 |
O=C1N(C(=O)CC1)CCCCCCN2C(=O)CCC2=O |
SMILES
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CACTVS |
3.370 |
O=C1CCC(=O)N1CCCCCCN2C(=O)CCC2=O |
SMILES
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OpenEye OEToolkits |
1.7.6 |
C1CC(=O)N(C1=O)CCCCCCN2C(=O)CCC2=O |
Canonical SMILES
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CACTVS |
3.370 |
O=C1CCC(=O)N1CCCCCCN2C(=O)CCC2=O |
Canonical SMILES
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OpenEye OEToolkits |
1.7.6 |
C1CC(=O)N(C1=O)CCCCCCN2C(=O)CCC2=O |
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IUPAC InChI | InChI=1S/C14H20N2O4/c17-11-5-6-12(18)15(11)9-3-1-2-4-10-16-13(19)7-8-14(16)20/h1-10H2 |
IUPAC InChI key | PBFKSBAPGGMKKJ-UHFFFAOYSA-N |
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wwPDB Information |
Atom count
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40 (20 without Hydrogen)
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Polymer type
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Bound ligand
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Type description
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NON-POLYMER
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Type code
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HETAIN
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Is modified
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No
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Standard parent
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Not Assigned
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Defined at
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2013-04-02
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Last modified at
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2021-03-13
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Status
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Released
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Obsoleted
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Not Assigned
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