Q6R
Summary
| Name: | (R)-2-((R)-((R)-2-amino-2-phenylacetamido)(carboxy)methyl)-5-chloro-3,6-dihydro-2H-1,3-thiazine-4-carboxylic acid |
| Synonyms: | cefaclor |
| Formula: | C15 H16 Cl N3 O5 S |
| Formal charge: | 0 |
| Formula weight: | 385.823 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (2~{R})-2-[(1~{R})-1-[[(2~{R})-2-azanyl-2-phenyl-ethanoyl]amino]-2-oxidanyl-2-oxidanylidene-ethyl]-5-chloranyl-3,6-dihydro-2~{H}-1,3-thiazine-4-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C15H16ClN3O5S/c16-8-6-25-13(19-10(8)14(21)22)11(15(23)24)18-12(20)9(17)7-4-2-1-3-5-7/h1-5,9,11,13,19H,6,17H2,(H,18,20)(H,21,22)(H,23,24)/t9-,11+,13-/m1/s1 |
| InChIKey | InChI | 1.06 | BPKRUZRKWSLICC-SUZMYJTESA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | N[C@@H](C(=O)N[C@@H]([C@@H]1NC(=C(Cl)CS1)C(O)=O)C(O)=O)c2ccccc2 |
| SMILES | CACTVS | 3.385 | N[CH](C(=O)N[CH]([CH]1NC(=C(Cl)CS1)C(O)=O)C(O)=O)c2ccccc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)[C@H](C(=O)N[C@@H]([C@@H]2NC(=C(CS2)Cl)C(=O)O)C(=O)O)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)C(C(=O)NC(C2NC(=C(CS2)Cl)C(=O)O)C(=O)O)N |
