A1L87
Summary
| Name: | Acylated Cefprozil |
| Synonyms: | (2~{S},5~{Z})-2-[(1~{R})-1-[[(2~{S})-2-azanyl-2-(4-hydroxyphenyl)ethanoyl]amino]-2-oxidanylidene-ethyl]-5-propylidene-2~{H}-1,3-thiazine-4-carboxylic acid |
| Formula: | C18 H21 N3 O5 S |
| Formal charge: | 0 |
| Formula weight: | 391.441 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (2~{S},5~{Z})-2-[(1~{R})-1-[[(2~{S})-2-azanyl-2-(4-hydroxyphenyl)ethanoyl]amino]-2-oxidanylidene-ethyl]-5-propylidene-2~{H}-1,3-thiazine-4-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C18H21N3O5S/c1-2-3-11-9-27-17(21-15(11)18(25)26)13(8-22)20-16(24)14(19)10-4-6-12(23)7-5-10/h3-8,13-14,17,23H,2,9,19H2,1H3,(H,20,24)(H,25,26)/b11-3+/t13-,14+,17+/m1/s1 |
| InChIKey | InChI | 1.06 | HNFSEOTXXHWIMD-FUINVQLHSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC/C=C/1CS[C@H](N=C/1C(O)=O)[C@H](NC(=O)[C@@H](N)c2ccc(O)cc2)C=O |
| SMILES | CACTVS | 3.385 | CCC=C1CS[CH](N=C1C(O)=O)[CH](NC(=O)[CH](N)c2ccc(O)cc2)C=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC/C=C/1\CS[C@H](N=C1C(=O)O)[C@@H](C=O)NC(=O)[C@H](c2ccc(cc2)O)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCC=C1CSC(N=C1C(=O)O)C(C=O)NC(=O)C(c2ccc(cc2)O)N |
