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M6W : Summary
Code ![](/pdbe/static/images/help.png)
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M6W
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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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(3~{S})-~{N}-methylpyrrolidine-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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C6 H12 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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128.172 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 |
CNC(=O)[CH]1CCNC1 |
SMILES
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OpenEye OEToolkits |
2.0.7 |
CNC(=O)C1CCNC1 |
Canonical SMILES
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CACTVS |
3.385 |
CNC(=O)[C@H]1CCNC1 |
Canonical SMILES
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OpenEye OEToolkits |
2.0.7 |
CNC(=O)[C@H]1CCNC1 |
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IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C6H12N2O/c1-7-6(9)5-2-3-8-4-5/h5,8H,2-4H2,1H3,(H,7,9)/t5-/m0/s1 |
IUPAC InChI key ![](/pdbe/static/images/help.png) | BVOWXWSHDIGNRE-YFKPBYRVSA-N |
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wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
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21 (9 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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2019-10-03
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Last modified at ![](/pdbe/static/images/help.png)
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2020-02-28
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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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