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MWN : Summary
Code ![](/pdbe/static/images/help.png)
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MWN
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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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methyl (3R)-5-bromo-3-hydroxy-2-oxo-2,3-dihydro-1H-indole-7-carboxylate
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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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C10 H8 Br N O4
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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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286.079 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(OC)c1cc(Br)cc2c1NC(=O)C2O |
SMILES
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CACTVS |
3.385 |
COC(=O)c1cc(Br)cc2[CH](O)C(=O)Nc12 |
SMILES
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OpenEye OEToolkits |
2.0.7 |
COC(=O)c1cc(cc2c1NC(=O)C2O)Br |
Canonical SMILES
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CACTVS |
3.385 |
COC(=O)c1cc(Br)cc2[C@@H](O)C(=O)Nc12 |
Canonical SMILES
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OpenEye OEToolkits |
2.0.7 |
COC(=O)c1cc(cc2c1NC(=O)[C@@H]2O)Br |
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IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C10H8BrNO4/c1-16-10(15)6-3-4(11)2-5-7(6)12-9(14)8(5)13/h2-3,8,13H,1H3,(H,12,14)/t8-/m1/s1 |
IUPAC InChI key ![](/pdbe/static/images/help.png) | CLECANRFNXEJLT-MRVPVSSYSA-N |
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wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
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24 (16 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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2023-08-16
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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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