A1APP
Summary
| Name: | Cefadroxil |
| Synonyms: | (1S,2R,3R,6R,7R)-7-{[(2R)-2-amino-2-(4-hydroxyphenyl)acetyl]amino}-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylic acid |
| Formula: | C16 H17 N3 O5 S |
| Formal charge: | 0 |
| Formula weight: | 363.388 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (1S,6R,7R)-7-{[(2R)-2-amino-2-(4-hydroxyphenyl)acetyl]amino}-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid |
| OpenEye OEToolkits | 2.0.7 | (6~{R},7~{R})-7-[[(2~{R})-2-azanyl-2-(4-hydroxyphenyl)ethanoyl]amino]-3-methyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | CC=1CSC2C(NC(=O)C(N)c3ccc(O)cc3)C(=O)N2C=1C(=O)O |
| InChI | InChI | 1.06 | InChI=1S/C16H17N3O5S/c1-7-6-25-15-11(14(22)19(15)12(7)16(23)24)18-13(21)10(17)8-2-4-9(20)5-3-8/h2-5,10-11,15,20H,6,17H2,1H3,(H,18,21)(H,23,24)/t10-,11-,15-/m1/s1 |
| InChIKey | InChI | 1.06 | BOEGTKLJZSQCCD-UEKVPHQBSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC1=C(N2[C@H](SC1)[C@H](NC(=O)[C@H](N)c3ccc(O)cc3)C2=O)C(O)=O |
| SMILES | CACTVS | 3.385 | CC1=C(N2[CH](SC1)[CH](NC(=O)[CH](N)c3ccc(O)cc3)C2=O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)[C@@H](c3ccc(cc3)O)N)SC1)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC1=C(N2C(C(C2=O)NC(=O)C(c3ccc(cc3)O)N)SC1)C(=O)O |
