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AO0 : Summary
Code ![](/pdbe/static/images/help.png)
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AO0
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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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1-[3-(diphenoxyphosphorylamino)phenyl]ethanone
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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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C20 H18 N O4 P
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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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367.335 Da
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SMILES ![](/pdbe/static/images/help.png)
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Type | Program | Version | Descriptor |
SMILES
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CACTVS |
3.385 |
CC(=O)c1cccc(N[P](=O)(Oc2ccccc2)Oc3ccccc3)c1 |
SMILES
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OpenEye OEToolkits |
2.0.7 |
CC(=O)c1cccc(c1)NP(=O)(Oc2ccccc2)Oc3ccccc3 |
Canonical SMILES
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CACTVS |
3.385 |
CC(=O)c1cccc(N[P](=O)(Oc2ccccc2)Oc3ccccc3)c1 |
Canonical SMILES
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OpenEye OEToolkits |
2.0.7 |
CC(=O)c1cccc(c1)NP(=O)(Oc2ccccc2)Oc3ccccc3 |
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IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C20H18NO4P/c1-16(22)17-9-8-10-18(15-17)21-26(23,24-19-11-4-2-5-12-19)25-20-13-6-3-7-14-20/h2-15H,1H3,(H,21,23) |
IUPAC InChI key ![](/pdbe/static/images/help.png) | UTGDURAFAYPCHO-UHFFFAOYSA-N |
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wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
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44 (26 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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2023-05-16
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Last modified at ![](/pdbe/static/images/help.png)
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2024-05-10
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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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