O12
N~5~-dodecanoyl-L-ornithine
Created: | 2008-02-25 |
Last modified: | 2024-09-27 |
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Chemical Details | |
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Formal Charge | 0 |
Atom Count | 56 |
Chiral Atom Count | 1 |
Bond Count | 55 |
Aromatic Bond Count | 0 |
Chemical Component Summary | |
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Name | N~5~-dodecanoyl-L-ornithine |
Systematic Name (OpenEye OEToolkits) | (2S)-2-amino-5-(dodecanoylamino)pentanoic acid |
Formula | C17 H34 N2 O3 |
Molecular Weight | 314.463 |
Type | L-PEPTIDE LINKING |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C(NCCCC(N)C(=O)O)CCCCCCCCCCC |
SMILES | CACTVS | 3.341 | CCCCCCCCCCCC(=O)NCCC[CH](N)C(O)=O |
SMILES | OpenEye OEToolkits | 1.5.0 | CCCCCCCCCCCC(=O)NCCCC(C(=O)O)N |
Canonical SMILES | CACTVS | 3.341 | CCCCCCCCCCCC(=O)NCCC[C@H](N)C(O)=O |
Canonical SMILES | OpenEye OEToolkits | 1.5.0 | CCCCCCCCCCCC(=O)NCCC[C@@H](C(=O)O)N |
InChI | InChI | 1.03 | InChI=1S/C17H34N2O3/c1-2-3-4-5-6-7-8-9-10-13-16(20)19-14-11-12-15(18)17(21)22/h15H,2-14,18H2,1H3,(H,19,20)(H,21,22)/t15-/m0/s1 |
InChIKey | InChI | 1.03 | FISWIEVEEGBZND-HNNXBMFYSA-N |
Related Resource References
Resource Name | Reference |
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PubChem | 49867418 |