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OHV : Summary
Code ![](/pdbe/static/images/help.png)
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OHV
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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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benzyl {4-[5-(hydroxymethyl)-1H-imidazol-2-yl]butyl}carbamate
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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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C16 H21 N3 O3
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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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303.356 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 |
C(CCCc1ncc(CO)n1)NC(=O)OCc2ccccc2 |
SMILES
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CACTVS |
3.385 |
OCc1[nH]c(CCCCNC(=O)OCc2ccccc2)nc1 |
SMILES
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OpenEye OEToolkits |
2.0.7 |
c1ccc(cc1)COC(=O)NCCCCc2[nH]c(cn2)CO |
Canonical SMILES
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CACTVS |
3.385 |
OCc1[nH]c(CCCCNC(=O)OCc2ccccc2)nc1 |
Canonical SMILES
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OpenEye OEToolkits |
2.0.7 |
c1ccc(cc1)COC(=O)NCCCCc2[nH]c(cn2)CO |
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IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C16H21N3O3/c20-11-14-10-18-15(19-14)8-4-5-9-17-16(21)22-12-13-6-2-1-3-7-13/h1-3,6-7,10,20H,4-5,8-9,11-12H2,(H,17,21)(H,18,19) |
IUPAC InChI key ![](/pdbe/static/images/help.png) | NIZFBMMWDHTIBI-UHFFFAOYSA-N |
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wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
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43 (22 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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2019-06-25
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Last modified at ![](/pdbe/static/images/help.png)
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2019-12-06
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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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