CGA
CARBOXYMETHYLATED GLUTAMIC ACID
Created: | 1999-07-08 |
Last modified: | 2024-09-27 |
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Chemical Details | |
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Formal Charge | 0 |
Atom Count | 25 |
Chiral Atom Count | 1 |
Bond Count | 24 |
Aromatic Bond Count | 0 |
Chemical Component Summary | |
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Name | CARBOXYMETHYLATED GLUTAMIC ACID |
Systematic Name (OpenEye OEToolkits) | 2-azanyl-5-(2-hydroxy-2-oxoethyloxy)-5-oxidanylidene-pentanoic acid |
Formula | C7 H11 N O6 |
Molecular Weight | 205.165 |
Type | L-PEPTIDE LINKING |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(O)COC(=O)CCC(C(=O)O)N |
SMILES | CACTVS | 3.370 | NC(CCC(=O)OCC(O)=O)C(O)=O |
SMILES | OpenEye OEToolkits | 1.7.6 | C(CC(=O)OCC(=O)O)C(C(=O)O)N |
Canonical SMILES | CACTVS | 3.370 | NC(CCC(=O)OCC(O)=O)C(O)=O |
Canonical SMILES | OpenEye OEToolkits | 1.7.6 | C(CC(=O)OCC(=O)O)C(C(=O)O)N |
InChI | InChI | 1.03 | InChI=1S/C7H11NO6/c8-4(7(12)13)1-2-6(11)14-3-5(9)10/h4H,1-3,8H2,(H,9,10)(H,12,13) |
InChIKey | InChI | 1.03 | ICGBNHCVKQCJHW-UHFFFAOYSA-N |
Related Resource References
Resource Name | Reference |
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PubChem | 52941768 |