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O3A : Summary
Code ![](/pdbe/static/images/help.png)
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O3A
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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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(3S)-N-methyl-N-phenylpyrrolidine-3-carboxamide
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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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C12 H16 N2 O
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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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204.268 Da
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SMILES ![](/pdbe/static/images/help.png)
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Type | Program | Version | Descriptor |
SMILES
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ACDLabs |
12.01 |
N(C(C1CCNC1)=O)(c2ccccc2)C |
SMILES
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CACTVS |
3.385 |
CN(C(=O)[CH]1CCNC1)c2ccccc2 |
SMILES
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OpenEye OEToolkits |
2.0.6 |
CN(c1ccccc1)C(=O)C2CCNC2 |
Canonical SMILES
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CACTVS |
3.385 |
CN(C(=O)[C@H]1CCNC1)c2ccccc2 |
Canonical SMILES
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OpenEye OEToolkits |
2.0.6 |
CN(c1ccccc1)C(=O)[C@H]2CCNC2 |
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IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C12H16N2O/c1-14(11-5-3-2-4-6-11)12(15)10-7-8-13-9-10/h2-6,10,13H,7-9H2,1H3/t10-/m0/s1 |
IUPAC InChI key ![](/pdbe/static/images/help.png) | VZIWWLIHHFDZEO-JTQLQIEISA-N |
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wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
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31 (15 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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2019-06-06
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Last modified at ![](/pdbe/static/images/help.png)
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2019-08-16
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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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