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A1D5B : Summary
Code ![](/pdbe/static/images/help.png)
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A1D5B
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One-letter code ![](/pdbe/static/images/help.png)
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K
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Molecule name ![](/pdbe/static/images/help.png)
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methyl (2~{S})-2,6-bis(azanyl)hexanoate
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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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C7 H16 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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160.214 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 |
COC(=O)[CH](N)CCCCN |
SMILES
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OpenEye OEToolkits |
2.0.7 |
COC(=O)C(CCCCN)N |
Canonical SMILES
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CACTVS |
3.385 |
COC(=O)[C@@H](N)CCCCN |
Canonical SMILES
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OpenEye OEToolkits |
2.0.7 |
COC(=O)[C@H](CCCCN)N |
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IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C7H16N2O2/c1-11-7(10)6(9)4-2-3-5-8/h6H,2-5,8-9H2,1H3/t6-/m0/s1 |
IUPAC InChI key ![](/pdbe/static/images/help.png) | KPNBUPJZFJCCIQ-LURJTMIESA-N |
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wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
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27 (11 without Hydrogen)
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Polymer type ![](/pdbe/static/images/help.png)
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Amino Acid
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Type description ![](/pdbe/static/images/help.png)
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L-peptide linking
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Type code ![](/pdbe/static/images/help.png)
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ATOMP
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Is modified ![](/pdbe/static/images/help.png)
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Yes
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Standard parent ![](/pdbe/static/images/help.png)
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LYS
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Defined at ![](/pdbe/static/images/help.png)
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2024-01-02
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Last modified at ![](/pdbe/static/images/help.png)
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2024-06-28
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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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