NZM
Summary
| Name: | cefixime, bound form |
| Formula: | C16 H17 N5 O7 S2 |
| Formal charge: | 0 |
| Formula weight: | 455.465 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2R)-2-[(1R)-1-({(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-[(carboxymethoxy)imino]acetyl}amino)-2-oxoethyl]-5-ethenyl-3,6-dihydro-2H-1,3-thiazine-4-carboxylic acid |
| OpenEye OEToolkits | 2.0.7 | (2~{R})-2-[(1~{R})-1-[[(2~{Z})-2-(2-azanyl-1,3-thiazol-4-yl)-2-(2-hydroxy-2-oxoethyloxyimino)ethanoyl]amino]-2-oxidanylidene-ethyl]-5-ethenyl-3,6-dihydro-2~{H}-1,3-thiazine-4-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | OC(=O)CO\N=C(/C(=O)NC(C=O)C1SCC(=C(N1)C(O)=O)[C@H]=C)c2csc(N)n2 |
| InChI | InChI | 1.03 | InChI=1S/C16H17N5O7S2/c1-2-7-5-29-14(20-11(7)15(26)27)8(3-22)18-13(25)12(21-28-4-10(23)24)9-6-30-16(17)19-9/h2-3,6,8,14,20H,1,4-5H2,(H2,17,19)(H,18,25)(H,23,24)(H,26,27)/b21-12-/t8-,14-/m1/s1 |
| InChIKey | InChI | 1.03 | LIFBJXSMIMSLKH-VSOMHRBSSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Nc1scc(n1)/C(=N/OCC(O)=O)C(=O)N[C@H](C=O)[C@@H]2NC(=C(CS2)C=C)C(O)=O |
| SMILES | CACTVS | 3.385 | Nc1scc(n1)C(=NOCC(O)=O)C(=O)N[CH](C=O)[CH]2NC(=C(CS2)C=C)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C=CC1=C(N[C@H](SC1)[C@@H](C=O)NC(=O)/C(=N\OCC(=O)O)/c2csc(n2)N)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | C=CC1=C(NC(SC1)C(C=O)NC(=O)C(=NOCC(=O)O)c2csc(n2)N)C(=O)O |
