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BPG : Summary
Code ![](/pdbe/static/images/help.png)
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BPG
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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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9-(4-HYDROXYBUTYL)-N2-PHENYLGUANINE
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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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C15 H17 N5 O2
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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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299.328 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 |
10.04 |
O=C1c3ncn(c3N=C(N1)Nc2ccccc2)CCCCO |
SMILES
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CACTVS |
3.341 |
OCCCCn1cnc2C(=O)NC(=Nc12)Nc3ccccc3 |
SMILES
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OpenEye OEToolkits |
1.5.0 |
c1ccc(cc1)NC2=Nc3c(ncn3CCCCO)C(=O)N2 |
Canonical SMILES
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CACTVS |
3.341 |
OCCCCn1cnc2C(=O)NC(=Nc12)Nc3ccccc3 |
Canonical SMILES
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OpenEye OEToolkits |
1.5.0 |
c1ccc(cc1)NC2=Nc3c(ncn3CCCCO)C(=O)N2 |
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IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C15H17N5O2/c21-9-5-4-8-20-10-16-12-13(20)18-15(19-14(12)22)17-11-6-2-1-3-7-11/h1-3,6-7,10,21H,4-5,8-9H2,(H2,17,18,19,22) |
IUPAC InChI key ![](/pdbe/static/images/help.png) | JHBXNPBKSPYOFT-UHFFFAOYSA-N |
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wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
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39 (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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1999-07-08
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Last modified at ![](/pdbe/static/images/help.png)
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2011-06-04
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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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