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L6K : Summary
Code ![](/pdbe/static/images/help.png)
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L6K
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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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(2~{S})-3-[4-[[5-(aminomethyl)furan-3-yl]methoxy]phenyl]-2-(methylamino)propanoic acid
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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 H20 N2 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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304.341 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 |
CN[CH](Cc1ccc(OCc2coc(CN)c2)cc1)C(O)=O |
SMILES
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OpenEye OEToolkits |
2.0.7 |
CNC(Cc1ccc(cc1)OCc2cc(oc2)CN)C(=O)O |
Canonical SMILES
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CACTVS |
3.385 |
CN[C@@H](Cc1ccc(OCc2coc(CN)c2)cc1)C(O)=O |
Canonical SMILES
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OpenEye OEToolkits |
2.0.7 |
CN[C@@H](Cc1ccc(cc1)OCc2cc(oc2)CN)C(=O)O |
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IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C16H20N2O4/c1-18-15(16(19)20)7-11-2-4-13(5-3-11)21-9-12-6-14(8-17)22-10-12/h2-6,10,15,18H,7-9,17H2,1H3,(H,19,20)/t15-/m0/s1 |
IUPAC InChI key ![](/pdbe/static/images/help.png) | QGZKJFPEUIZHQR-HNNXBMFYSA-N |
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wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
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42 (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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2019-07-23
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Last modified at ![](/pdbe/static/images/help.png)
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2019-11-29
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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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