8GL
(2S)-2-azanyl-2-oxidanyl-pentanedioic acid
Created: | 2017-07-05 |
Last modified: | 2018-03-21 |
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Chemical Details | |
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Formal Charge | 0 |
Atom Count | 20 |
Chiral Atom Count | 1 |
Bond Count | 19 |
Aromatic Bond Count | 0 |
Chemical Component Summary | |
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Name | (2S)-2-azanyl-2-oxidanyl-pentanedioic acid |
Systematic Name (OpenEye OEToolkits) | (2~{S})-2-azanyl-2-oxidanyl-pentanedioic acid |
Formula | C5 H9 N O5 |
Molecular Weight | 163.129 |
Type | NON-POLYMER |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | CACTVS | 3.385 | N[C](O)(CCC(O)=O)C(O)=O |
SMILES | OpenEye OEToolkits | 2.0.6 | C(CC(C(=O)O)(N)O)C(=O)O |
Canonical SMILES | CACTVS | 3.385 | N[C@](O)(CCC(O)=O)C(O)=O |
Canonical SMILES | OpenEye OEToolkits | 2.0.6 | C(C[C@](C(=O)O)(N)O)C(=O)O |
InChI | InChI | 1.03 | InChI=1S/C5H9NO5/c6-5(11,4(9)10)2-1-3(7)8/h11H,1-2,6H2,(H,7,8)(H,9,10)/t5-/m0/s1 |
InChIKey | InChI | 1.03 | GXSDWXSYZHGBBO-YFKPBYRVSA-N |
Related Resource References
Resource Name | Reference |
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PubChem | 102355784 |