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E9J : Summary
Code ![](/pdbe/static/images/help.png)
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E9J
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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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oxo{[(1S)-1-phenylethyl]amino}acetic 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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C10 H11 N 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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193.199 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 |
C(C(NC(C)c1ccccc1)=O)(O)=O |
SMILES
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CACTVS |
3.385 |
C[CH](NC(=O)C(O)=O)c1ccccc1 |
SMILES
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OpenEye OEToolkits |
2.0.6 |
CC(c1ccccc1)NC(=O)C(=O)O |
Canonical SMILES
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CACTVS |
3.385 |
C[C@H](NC(=O)C(O)=O)c1ccccc1 |
Canonical SMILES
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OpenEye OEToolkits |
2.0.6 |
C[C@@H](c1ccccc1)NC(=O)C(=O)O |
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IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C10H11NO3/c1-7(11-9(12)10(13)14)8-5-3-2-4-6-8/h2-7H,1H3,(H,11,12)(H,13,14)/t7-/m0/s1 |
IUPAC InChI key ![](/pdbe/static/images/help.png) | RVIXKSXCAWSWSX-ZETCQYMHSA-N |
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wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
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25 (14 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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2017-12-13
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Last modified at ![](/pdbe/static/images/help.png)
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2018-12-07
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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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