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OPY : Summary
Code ![](/pdbe/static/images/help.png)
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OPY
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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)-4-oxo-4-piperidin-1-ylbutane-1,3-diamine
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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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C9 H19 N3 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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185.267 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 |
O=C(N1CCCCC1)C(N)CCN |
SMILES
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CACTVS |
3.370 |
NCC[CH](N)C(=O)N1CCCCC1 |
SMILES
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OpenEye OEToolkits |
1.7.0 |
C1CCN(CC1)C(=O)C(CCN)N |
Canonical SMILES
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CACTVS |
3.370 |
NCC[C@H](N)C(=O)N1CCCCC1 |
Canonical SMILES
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OpenEye OEToolkits |
1.7.0 |
C1CCN(CC1)C(=O)[C@H](CCN)N |
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IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C9H19N3O/c10-5-4-8(11)9(13)12-6-2-1-3-7-12/h8H,1-7,10-11H2/t8-/m0/s1 |
IUPAC InChI key ![](/pdbe/static/images/help.png) | RKBKYSFKXFKBBM-QMMMGPOBSA-N |
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wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
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32 (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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2010-05-17
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Last modified at ![](/pdbe/static/images/help.png)
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2020-06-17
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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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