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T54 : Summary
Code ![](/pdbe/static/images/help.png)
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T54
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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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(1R,2S)-2-(thiophen-3-yl)cyclopentane-1-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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C10 H13 N O S
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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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195.281 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 |
c1c(csc1)C2C(C(N)=O)CCC2 |
SMILES
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CACTVS |
3.385 |
NC(=O)[CH]1CCC[CH]1c2cscc2 |
SMILES
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OpenEye OEToolkits |
2.0.7 |
c1cscc1C2CCCC2C(=O)N |
Canonical SMILES
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CACTVS |
3.385 |
NC(=O)[C@H]1CCC[C@H]1c2cscc2 |
Canonical SMILES
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OpenEye OEToolkits |
2.0.7 |
c1cscc1[C@@H]2CCC[C@@H]2C(=O)N |
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IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C10H13NOS/c11-10(12)9-3-1-2-8(9)7-4-5-13-6-7/h4-6,8-9H,1-3H2,(H2,11,12)/t8-,9-/m1/s1 |
IUPAC InChI key ![](/pdbe/static/images/help.png) | GQGCCJATUDDTKK-RKDXNWHRSA-N |
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wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
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26 (13 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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2020-03-16
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Last modified at ![](/pdbe/static/images/help.png)
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2020-03-20
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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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