FXM
Summary
| Name: | 2,2-dimethylpropanoyloxymethyl (2R)-5-(aminocarbonyloxymethyl)-2-[(1R)-1-[[(Z)-2-(2-azanyl-1,3-thiazol-4-yl)pent-2-enoyl]amino]-2-oxidanylidene-ethyl]- 3,6-dihydro-2H-1,3-thiazine-4-carboxylate |
| Synonyms: | FLOMOX open form |
| Formula: | C23 H31 N5 O8 S2 |
| Formal charge: | 0 |
| Formula weight: | 569.651 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 1.7.6 | 2,2-dimethylpropanoyloxymethyl (2R)-5-(aminocarbonyloxymethyl)-2-[(1R)-1-[[(Z)-2-(2-azanyl-1,3-thiazol-4-yl)pent-2-enoyl]amino]-2-oxidanylidene-ethyl]-3,6-dihydro-2H-1,3-thiazine-4-carboxylate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C23H31N5O8S2/c1-5-6-13(15-10-38-21(24)27-15)17(30)26-14(7-29)18-28-16(12(9-37-18)8-34-22(25)33)19(31)35-11-36-20(32)23(2,3)4/h6-7,10,14,18,28H,5,8-9,11H2,1-4H3,(H2,24,27)(H2,25,33)(H,26,30)/b13-6-/t14-,18-/m1/s1 |
| InChIKey | InChI | 1.03 | CXZSGDIZUNIAQH-FJWVKOTRSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC\C=C(/C(=O)N[C@H](C=O)[C@@H]1NC(=C(COC(N)=O)CS1)C(=O)OCOC(=O)C(C)(C)C)c2csc(N)n2 |
| SMILES | CACTVS | 3.385 | CCC=C(C(=O)N[CH](C=O)[CH]1NC(=C(COC(N)=O)CS1)C(=O)OCOC(=O)C(C)(C)C)c2csc(N)n2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CC/C=C(/c1csc(n1)N)\C(=O)N[C@H](C=O)[C@@H]2NC(=C(CS2)COC(=O)N)C(=O)OCOC(=O)C(C)(C)C |
| SMILES | OpenEye OEToolkits | 1.7.6 | CCC=C(c1csc(n1)N)C(=O)NC(C=O)C2NC(=C(CS2)COC(=O)N)C(=O)OCOC(=O)C(C)(C)C |
