3FG
(2S)-amino(3,5-dihydroxyphenyl)ethanoic acid
| Created: | 2009-03-27 |
| Last modified: | 2024-09-27 |
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Chemical Details | |
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| Formal Charge | 0 |
| Atom Count | 22 |
| Chiral Atom Count | 1 |
| Bond Count | 22 |
| Aromatic Bond Count | 6 |
Chemical Component Summary | |
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| Name | (2S)-amino(3,5-dihydroxyphenyl)ethanoic acid |
| Systematic Name (OpenEye OEToolkits) | (2S)-2-azanyl-2-(3,5-dihydroxyphenyl)ethanoic acid |
| Formula | C8 H9 N O4 |
| Molecular Weight | 183.161 |
| Type | L-PEPTIDE LINKING |
Chemical Descriptors | |||
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| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)C(c1cc(O)cc(O)c1)N |
| SMILES | CACTVS | 3.370 | N[CH](C(O)=O)c1cc(O)cc(O)c1 |
| SMILES | OpenEye OEToolkits | 1.7.0 | c1c(cc(cc1O)O)C(C(=O)O)N |
| Canonical SMILES | CACTVS | 3.370 | N[C@H](C(O)=O)c1cc(O)cc(O)c1 |
| Canonical SMILES | OpenEye OEToolkits | 1.7.0 | c1c(cc(cc1O)O)[C@@H](C(=O)O)N |
| InChI | InChI | 1.03 | InChI=1S/C8H9NO4/c9-7(8(12)13)4-1-5(10)3-6(11)2-4/h1-3,7,10-11H,9H2,(H,12,13)/t7-/m0/s1 |
| InChIKey | InChI | 1.03 | HOOWCUZPEFNHDT-ZETCQYMHSA-N |
Drug Info: DrugBank
DrugBank data are sourced from datasets licensed under a Creative Common's Attribution-NonCommercial 4.0 International License
| DrugBank ID | DB04228 |
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| Name | Dihydroxyphenylglycine |
| Groups | experimental |
| Synonyms |
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| Categories |
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| CAS number | 162870-29-3 |
Related Resource References
| Resource Name | Reference |
|---|---|
| PubChem | 443586, 71668376 |
| ChEMBL | CHEMBL39221 |
| ChEBI | CHEBI:75204, CHEBI:29474 |
