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CHEBI:44768 - [{4-[(2R,4E)-2-(1,3-benzothiazol-2-yl)-2-(1H-benzotriazol-1-yl)-5-phenylpent-4-en-1-yl]phenyl}(difluoro)methyl]phosphonic acid
| Formula | C31H25F2N4O3PS |
| Net Charge | 0 |
| Average Mass | 602.603 |
| Monoisotopic Mass | 602.13530 |
| SMILES | [H]OP(=O)(O[H])C(F)(F)c1c([H])c([H])c(C([H])([H])[C@](c2nc3c([H])c([H])c([H])c([H])c3s2)(n2nnc3c([H])c([H])c([H])c([H])c32)C([H])([H])/C([H])=C(\[H])c2c([H])c([H])c([H])c([H])c2[H])c([H])c1[H] |
| InChI | InChI=1S/C31H25F2N4O3PS/c32-31(33,41(38,39)40)24-18-16-23(17-19-24)21-30(20-8-11-22-9-2-1-3-10-22,29-34-26-13-5-7-15-28(26)42-29)37-27-14-6-4-12-25(27)35-36-37/h1-19H,20-21H2,(H2,38,39,40)/b11-8+/t30-/m1/s1 |
| InChIKey | GBLDYRVJENYQNH-AGLOJYHOSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| [{4-[(2R,4E)-2-(1,3-benzothiazol-2-yl)-2-(1H-benzotriazol-1-yl)-5-phenylpent-4-en-1-yl]phenyl}(difluoro)methyl]phosphonic acid (CHEBI:44768) has functional parent phosphonic acid (CHEBI:44976) |
| [{4-[(2R,4E)-2-(1,3-benzothiazol-2-yl)-2-(1H-benzotriazol-1-yl)-5-phenylpent-4-en-1-yl]phenyl}(difluoro)methyl]phosphonic acid (CHEBI:44768) is a benzothiazoles (CHEBI:37947) |
| [{4-[(2R,4E)-2-(1,3-benzothiazol-2-yl)-2-(1H-benzotriazol-1-yl)-5-phenylpent-4-en-1-yl]phenyl}(difluoro)methyl]phosphonic acid (CHEBI:44768) is a benzotriazoles (CHEBI:48912) |
| [{4-[(2R,4E)-2-(1,3-benzothiazol-2-yl)-2-(1H-benzotriazol-1-yl)-5-phenylpent-4-en-1-yl]phenyl}(difluoro)methyl]phosphonic acid (CHEBI:44768) is a organofluorine compound (CHEBI:37143) |
| Synonyms | Source |
|---|---|
| {4-[(2S,4E)-2-(1,3-BENZOTHIAZOL-2-YL)-2-(1H-1,2,3-BENZOTRIAZOL-1-YL)-5-PHENYLPENT-4-ENYL]PHENYL}(DIFLUORO)METHYLPHOSPHONIC ACID | PDBeChem |
| [{4-[(2R,4E)-2-(1,3-benzothiazol-2-yl)-2-(1H-benzotriazol-1-yl)-5-phenylpent-4-en-1-yl]phenyl}(difluoro)methyl]phosphonic acid | PDBeChem |
| Manual Xrefs | Databases |
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| P90 | PDBeChem |