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RIN : Summary
Code
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RIN
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One-letter code
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X
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Molecule name
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3-AMINO-AZACYCLOTRIDECAN-2-ONE
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Systematic names
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Formula
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C12 H24 N2 O
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Formal charge
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0
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Molecular weight
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212.332 Da
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SMILES
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Type | Program | Version | Descriptor |
SMILES
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ACDLabs |
10.04 |
O=C1NCCCCCCCCCCC1N |
SMILES
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CACTVS |
3.341 |
N[CH]1CCCCCCCCCCNC1=O |
SMILES
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OpenEye OEToolkits |
1.5.0 |
C1CCCCCNC(=O)C(CCCC1)N |
Canonical SMILES
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CACTVS |
3.341 |
N[C@H]1CCCCCCCCCCNC1=O |
Canonical SMILES
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OpenEye OEToolkits |
1.5.0 |
C1CCCCCNC(=O)[C@H](CCCC1)N |
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IUPAC InChI | InChI=1S/C12H24N2O/c13-11-9-7-5-3-1-2-4-6-8-10-14-12(11)15/h11H,1-10,13H2,(H,14,15)/t11-/m0/s1 |
IUPAC InChI key | CQZLEYBEPASILI-NSHDSACASA-N |
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wwPDB Information |
Atom count
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39 (15 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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1999-07-08
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Last modified at
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2011-06-04
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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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