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7J3 : Summary
Code ![](/pdbe/static/images/help.png)
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7J3
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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-amino-4-oxo-4-(piperidin-1-yl)butanoic 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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C9 H16 N2 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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200.235 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(CC(=O)N1CCCCC1)(N)C(=O)O |
SMILES
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CACTVS |
3.385 |
N[CH](CC(=O)N1CCCCC1)C(O)=O |
SMILES
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OpenEye OEToolkits |
2.0.6 |
C1CCN(CC1)C(=O)CC(C(=O)O)N |
Canonical SMILES
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CACTVS |
3.385 |
N[C@@H](CC(=O)N1CCCCC1)C(O)=O |
Canonical SMILES
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OpenEye OEToolkits |
2.0.6 |
C1CCN(CC1)C(=O)C[C@@H](C(=O)O)N |
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IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C9H16N2O3/c10-7(9(13)14)6-8(12)11-4-2-1-3-5-11/h7H,1-6,10H2,(H,13,14)/t7-/m0/s1 |
IUPAC InChI key ![](/pdbe/static/images/help.png) | DFQJEDOASBZINA-ZETCQYMHSA-N |
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wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
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30 (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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peptide linking
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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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2016-11-01
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Last modified at ![](/pdbe/static/images/help.png)
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2017-01-06
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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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