SGB
O-[(S)-METHYL(1-METHYLETHOXY)PHOSPHORYL]-L-SERINE
Created: | 2007-02-13 |
Last modified: | 2024-09-27 |
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Chemical Details | |
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Formal Charge | 0 |
Atom Count | 30 |
Chiral Atom Count | 2 |
Bond Count | 29 |
Aromatic Bond Count | 0 |
Chemical Component Summary | |
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Name | O-[(S)-METHYL(1-METHYLETHOXY)PHOSPHORYL]-L-SERINE |
Systematic Name (OpenEye OEToolkits) | (2S)-2-amino-3-(methyl-propan-2-yloxy-phosphoryl)oxy-propanoic acid |
Formula | C7 H16 N O5 P |
Molecular Weight | 225.179 |
Type | L-PEPTIDE LINKING |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=P(OCC(N)C(=O)O)(OC(C)C)C |
SMILES | CACTVS | 3.341 | CC(C)O[P](C)(=O)OC[CH](N)C(O)=O |
SMILES | OpenEye OEToolkits | 1.5.0 | CC(C)OP(=O)(C)OCC(C(=O)O)N |
Canonical SMILES | CACTVS | 3.341 | CC(C)O[P@@](C)(=O)OC[C@H](N)C(O)=O |
Canonical SMILES | OpenEye OEToolkits | 1.5.0 | CC(C)O[P@](=O)(C)OC[C@@H](C(=O)O)N |
InChI | InChI | 1.03 | InChI=1S/C7H16NO5P/c1-5(2)13-14(3,11)12-4-6(8)7(9)10/h5-6H,4,8H2,1-3H3,(H,9,10)/t6-,14-/m0/s1 |
InChIKey | InChI | 1.03 | RQYSKTURKPPJTP-MDAAJZPYSA-N |
Related Resource References
Resource Name | Reference |
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PubChem | 49867646 |