2KZ
2-amino maleic acid
Created: | 2014-04-11 |
Last modified: | 2020-06-05 |
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Chemical Details | |
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Formal Charge | 0 |
Atom Count | 14 |
Chiral Atom Count | 0 |
Bond Count | 13 |
Aromatic Bond Count | 0 |
Chemical Component Summary | |
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Name | 2-amino maleic acid |
Synonyms | (2E)-2-aminobut-2-enedioic acid |
Systematic Name (OpenEye OEToolkits) | (E)-2-azanylbut-2-enedioic acid |
Formula | C4 H5 N O4 |
Molecular Weight | 131.087 |
Type | D-PEPTIDE LINKING |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(O)\C=C(\N)C(=O)O |
SMILES | CACTVS | 3.385 | NC(=CC(O)=O)C(O)=O |
SMILES | OpenEye OEToolkits | 1.9.2 | C(=C(C(=O)O)N)C(=O)O |
Canonical SMILES | CACTVS | 3.385 | N/C(=C/C(O)=O)C(O)=O |
Canonical SMILES | OpenEye OEToolkits | 1.9.2 | C(=C(\C(=O)O)/N)\C(=O)O |
InChI | InChI | 1.03 | InChI=1S/C4H5NO4/c5-2(4(8)9)1-3(6)7/h1H,5H2,(H,6,7)(H,8,9)/b2-1+ |
InChIKey | InChI | 1.03 | ABZHGLSYGDUSDL-OWOJBTEDSA-N |
Related Resource References
Resource Name | Reference |
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PubChem | 57465651 |