UJ9
Summary
| Name: | Cefepime (open) |
| Synonyms: | (2R,5S)-2-[(1R)-1-[[(2Z)-2-(2-azanyl-1,3-thiazol-4-yl)-2-methoxyimino-ethanoyl]amino]-2-oxidanyl-ethyl]-5-[(1-methylpyrrolidin-1-ium-1-yl)methyl]-5,6-dihydro-2H-1,3-thiazine-4-carboxylic acid Cefepimum (reacted) |
| Formula: | C19 H29 N6 O5 S2 |
| Formal charge: | 1 |
| Formula weight: | 485.601 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (2~{R},5~{S})-2-[(1~{R})-1-[[(2~{Z})-2-(2-azanyl-1,3-thiazol-4-yl)-2-methoxyimino-ethanoyl]amino]-2-oxidanyl-ethyl]-5-[(1-methylpyrrolidin-1-ium-1-yl)methyl]-5,6-dihydro-2~{H}-1,3-thiazine-4-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C19H28N6O5S2/c1-25(5-3-4-6-25)7-11-9-31-17(23-14(11)18(28)29)12(8-26)21-16(27)15(24-30-2)13-10-32-19(20)22-13/h10-12,17,26H,3-9H2,1-2H3,(H3-,20,21,22,27,28,29)/p+1/b24-15-/t11-,12-,17-/m1/s1 |
| InChIKey | InChI | 1.06 | XJYXJMZNAZABOJ-BNWKVGSUSA-O |
| SMILES_CANONICAL | CACTVS | 3.385 | CO\N=C(/C(=O)N[C@H](CO)[C@H]1SC[C@@H](C[N+]2(C)CCCC2)C(=N1)C(O)=O)c3csc(N)n3 |
| SMILES | CACTVS | 3.385 | CON=C(C(=O)N[CH](CO)[CH]1SC[CH](C[N+]2(C)CCCC2)C(=N1)C(O)=O)c3csc(N)n3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[N+]1(CCCC1)C[C@@H]2CS[C@@H](N=C2C(=O)O)[C@@H](CO)NC(=O)/C(=N\OC)/c3csc(n3)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | C[N+]1(CCCC1)CC2CSC(N=C2C(=O)O)C(CO)NC(=O)C(=NOC)c3csc(n3)N |
