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E8C : Summary
Code ![](/pdbe/static/images/help.png)
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E8C
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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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(2R)-2-[[2,4-bis(fluoranyl)phenyl]methylcarbamoylamino]-4-methyl-N-oxidanyl-pentanamide
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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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C14 H19 F2 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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315.316 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(C)C[CH](NC(=O)NCc1ccc(F)cc1F)C(=O)NO |
SMILES
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OpenEye OEToolkits |
2.0.6 |
CC(C)CC(C(=O)NO)NC(=O)NCc1ccc(cc1F)F |
Canonical SMILES
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CACTVS |
3.385 |
CC(C)C[C@@H](NC(=O)NCc1ccc(F)cc1F)C(=O)NO |
Canonical SMILES
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OpenEye OEToolkits |
2.0.6 |
CC(C)C[C@H](C(=O)NO)NC(=O)NCc1ccc(cc1F)F |
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IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C14H19F2N3O3/c1-8(2)5-12(13(20)19-22)18-14(21)17-7-9-3-4-10(15)6-11(9)16/h3-4,6,8,12,22H,5,7H2,1-2H3,(H,19,20)(H2,17,18,21)/t12-/m1/s1 |
IUPAC InChI key ![](/pdbe/static/images/help.png) | IJLRZCJOVWWKMB-GFCCVEGCSA-N |
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wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
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41 (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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2017-07-26
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Last modified at ![](/pdbe/static/images/help.png)
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2018-07-27
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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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