A1MAF
Summary
| Name: | (1~{a}~{S},7~{b}~{R})-5-fluoranyl-2-oxidanyl-1~{a},7~{b}-dihydro-1~{H}-cyclopropa[c][1,2]benzoxaborinine-4-carboxylic acid |
| Synonyms: | (1R,2S)-Xeruborbactam disodium |
| Formula: | C10 H8 B F O4 |
| Formal charge: | 0 |
| Formula weight: | 221.978 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (1~{a}~{S},7~{b}~{R})-5-fluoranyl-2-oxidanyl-1~{a},7~{b}-dihydro-1~{H}-cyclopropa[c][1,2]benzoxaborinine-4-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C10H8BFO4/c12-7-2-1-4-5-3-6(5)11(15)16-9(4)8(7)10(13)14/h1-2,5-6,15H,3H2,(H,13,14)/t5-,6-/m0/s1 |
| InChIKey | InChI | 1.06 | KOHUFVUIYUCFNG-WDSKDSINSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OB1Oc2c(ccc(F)c2C(O)=O)[C@@H]3C[C@H]13 |
| SMILES | CACTVS | 3.385 | OB1Oc2c(ccc(F)c2C(O)=O)[CH]3C[CH]13 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | B1([C@H]2C[C@H]2c3ccc(c(c3O1)C(=O)O)F)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | B1(C2CC2c3ccc(c(c3O1)C(=O)O)F)O |
