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M0G : Summary
Code ![](/pdbe/static/images/help.png)
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M0G
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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-(3-chlorophenyl)-2-hydroxy-N-(4-methylpyridin-3-yl)butanamide
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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 H17 Cl N2 O2
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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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304.771 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 |
12.01 |
O=C(Nc1cnccc1C)C(O)(CC)c1cccc(Cl)c1 |
SMILES
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CACTVS |
3.385 |
CC[C](O)(C(=O)Nc1cnccc1C)c2cccc(Cl)c2 |
SMILES
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OpenEye OEToolkits |
2.0.7 |
CCC(c1cccc(c1)Cl)(C(=O)Nc2cnccc2C)O |
Canonical SMILES
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CACTVS |
3.385 |
CC[C@@](O)(C(=O)Nc1cnccc1C)c2cccc(Cl)c2 |
Canonical SMILES
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OpenEye OEToolkits |
2.0.7 |
CC[C@](c1cccc(c1)Cl)(C(=O)Nc2cnccc2C)O |
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IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C16H17ClN2O2/c1-3-16(21,12-5-4-6-13(17)9-12)15(20)19-14-10-18-8-7-11(14)2/h4-10,21H,3H2,1-2H3,(H,19,20)/t16-/m0/s1 |
IUPAC InChI key ![](/pdbe/static/images/help.png) | NJXUEBRIEJJDBY-INIZCTEOSA-N |
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wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
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38 (21 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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2023-08-15
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Last modified at ![](/pdbe/static/images/help.png)
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2023-11-03
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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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