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E8G : Summary
Code ![](/pdbe/static/images/help.png)
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E8G
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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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(2S)-2-[(2,3-dimethylphenyl)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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C16 H25 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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307.388 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)NCc1cccc(C)c1C)C(=O)NO |
SMILES
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OpenEye OEToolkits |
2.0.6 |
Cc1cccc(c1C)CNC(=O)NC(CC(C)C)C(=O)NO |
Canonical SMILES
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CACTVS |
3.385 |
CC(C)C[C@H](NC(=O)NCc1cccc(C)c1C)C(=O)NO |
Canonical SMILES
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OpenEye OEToolkits |
2.0.6 |
Cc1cccc(c1C)CNC(=O)N[C@@H](CC(C)C)C(=O)NO |
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IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C16H25N3O3/c1-10(2)8-14(15(20)19-22)18-16(21)17-9-13-7-5-6-11(3)12(13)4/h5-7,10,14,22H,8-9H2,1-4H3,(H,19,20)(H2,17,18,21)/t14-/m0/s1 |
IUPAC InChI key ![](/pdbe/static/images/help.png) | OHCMBYBSFAJCOD-AWEZNQCLSA-N |
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wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
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47 (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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2017-07-27
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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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