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E0K : Summary
Code ![](/pdbe/static/images/help.png)
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E0K
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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-(cyclopropylmethyl)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-4H-1,4-benzoxazin-3-one
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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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C17 H18 N2 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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298.336 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 |
Cc1onc(C)c1c2ccc3NC(=O)[CH](CC4CC4)Oc3c2 |
SMILES
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OpenEye OEToolkits |
2.0.6 |
Cc1c(c(on1)C)c2ccc3c(c2)OC(C(=O)N3)CC4CC4 |
Canonical SMILES
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CACTVS |
3.385 |
Cc1onc(C)c1c2ccc3NC(=O)[C@@H](CC4CC4)Oc3c2 |
Canonical SMILES
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OpenEye OEToolkits |
2.0.6 |
Cc1c(c(on1)C)c2ccc3c(c2)O[C@@H](C(=O)N3)CC4CC4 |
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IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C17H18N2O3/c1-9-16(10(2)22-19-9)12-5-6-13-14(8-12)21-15(17(20)18-13)7-11-3-4-11/h5-6,8,11,15H,3-4,7H2,1-2H3,(H,18,20)/t15-/m1/s1 |
IUPAC InChI key ![](/pdbe/static/images/help.png) | CMSYOXFBNZPEJB-OAHLLOKOSA-N |
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wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
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40 (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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2017-11-15
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Last modified at ![](/pdbe/static/images/help.png)
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2018-11-23
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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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