DBS
Summary
| Name: | 2-(2,3-DIHYDROXY-BENZOYLAMINO)-3-HYDROXY-PROPIONIC ACID |
| Synonyms: | 2,3,-DIHYDROXYBENZOYLSERINE |
| Formula: | C10 H11 N O6 |
| Formal charge: | 0 |
| Formula weight: | 241.197 Da |
| Component type: | L-PEPTIDE LINKING |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | N-[(2,3-dihydroxyphenyl)carbonyl]-L-serine |
| OpenEye OEToolkits | 1.5.0 | (2S)-2-[(2,3-dihydroxyphenyl)carbonylamino]-3-hydroxy-propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)C(NC(=O)c1cccc(O)c1O)CO |
| SMILES_CANONICAL | CACTVS | 3.341 | OC[C@H](NC(=O)c1cccc(O)c1O)C(O)=O |
| SMILES | CACTVS | 3.341 | OC[CH](NC(=O)c1cccc(O)c1O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1cc(c(c(c1)O)O)C(=O)N[C@@H](CO)C(=O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1cc(c(c(c1)O)O)C(=O)NC(CO)C(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C10H11NO6/c12-4-6(10(16)17)11-9(15)5-2-1-3-7(13)8(5)14/h1-3,6,12-14H,4H2,(H,11,15)(H,16,17)/t6-/m0/s1 |
| InChIKey | InChI | 1.03 | VDTYHTVHFIIEIL-LURJTMIESA-N |
