SEN
O-[N,N-dimethylphosphoramidate]-L-serine
Created: | 2008-06-27 |
Last modified: | 2024-09-27 |
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Chemical Details | |
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Formal Charge | 0 |
Atom Count | 26 |
Chiral Atom Count | 2 |
Bond Count | 25 |
Aromatic Bond Count | 0 |
Chemical Component Summary | |
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Name | O-[N,N-dimethylphosphoramidate]-L-serine |
Systematic Name (OpenEye OEToolkits) | (2S)-2-amino-3-(dimethylamino-hydroxy-phosphoryl)oxy-propanoic acid |
Formula | C5 H13 N2 O5 P |
Molecular Weight | 212.141 |
Type | L-PEPTIDE LINKING |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=P(O)(OCC(N)C(=O)O)N(C)C |
SMILES | CACTVS | 3.341 | CN(C)[P](O)(=O)OC[CH](N)C(O)=O |
SMILES | OpenEye OEToolkits | 1.5.0 | CN(C)P(=O)(O)OCC(C(=O)O)N |
Canonical SMILES | CACTVS | 3.341 | CN(C)[P@@](O)(=O)OC[C@H](N)C(O)=O |
Canonical SMILES | OpenEye OEToolkits | 1.5.0 | CN(C)[P@](=O)(O)OC[C@@H](C(=O)O)N |
InChI | InChI | 1.03 | InChI=1S/C5H13N2O5P/c1-7(2)13(10,11)12-3-4(6)5(8)9/h4H,3,6H2,1-2H3,(H,8,9)(H,10,11)/t4-/m0/s1 |
InChIKey | InChI | 1.03 | HTPIRKVMFNYAHI-BYPYZUCNSA-N |
Related Resource References
Resource Name | Reference |
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PubChem | 49867641 |