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5BD : Summary
Code ![](/pdbe/static/images/help.png)
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5BD
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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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N,N'-(9,10-dioxo-9,10-dihydroanthracene-2,7-diyl)bis[2-(dimethylamino)acetamide]
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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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C22 H24 N4 O4
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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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408.45 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=C(Nc3ccc2C(=O)c1c(cc(cc1)NC(=O)CN(C)C)C(=O)c2c3)CN(C)C |
SMILES
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CACTVS |
3.341 |
CN(C)CC(=O)Nc1ccc2C(=O)c3ccc(NC(=O)CN(C)C)cc3C(=O)c2c1 |
SMILES
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OpenEye OEToolkits |
1.5.0 |
CN(C)CC(=O)Nc1ccc2c(c1)C(=O)c3cc(ccc3C2=O)NC(=O)CN(C)C |
Canonical SMILES
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CACTVS |
3.341 |
CN(C)CC(=O)Nc1ccc2C(=O)c3ccc(NC(=O)CN(C)C)cc3C(=O)c2c1 |
Canonical SMILES
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OpenEye OEToolkits |
1.5.0 |
CN(C)CC(=O)Nc1ccc2c(c1)C(=O)c3cc(ccc3C2=O)NC(=O)CN(C)C |
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IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C22H24N4O4/c1-25(2)11-19(27)23-13-5-7-15-17(9-13)22(30)18-10-14(6-8-16(18)21(15)29)24-20(28)12-26(3)4/h5-10H,11-12H2,1-4H3,(H,23,27)(H,24,28) |
IUPAC InChI key ![](/pdbe/static/images/help.png) | BQUQDCVNESTXAU-UHFFFAOYSA-N |
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wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
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54 (30 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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2009-03-24
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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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