Q53
Summary
| Name: | (R)-2-((R)-((R)-2-amino-2-phenylacetamido)(carboxy)methyl)-5-methyl-3,6-dihydro-2H-1,3-thiazine-4-carboxylic acid |
| Synonyms: | cephalexin |
| Formula: | C16 H19 N3 O5 S |
| Formal charge: | 0 |
| Formula weight: | 365.404 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-methyl-3,6-dihydro-2~{H}-1,3-thiazine-4-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C16H19N3O5S/c1-8-7-25-14(19-11(8)15(21)22)12(16(23)24)18-13(20)10(17)9-5-3-2-4-6-9/h2-6,10,12,14,19H,7,17H2,1H3,(H,18,20)(H,21,22)(H,23,24)/t10-,12+,14-/m1/s1 |
| InChIKey | InChI | 1.06 | MSGWVKZSYIMFHD-SCDSUCTJSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC1=C(N[C@H](SC1)[C@H](NC(=O)[C@H](N)c2ccccc2)C(O)=O)C(O)=O |
| SMILES | CACTVS | 3.385 | CC1=C(N[CH](SC1)[CH](NC(=O)[CH](N)c2ccccc2)C(O)=O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC1=C(N[C@H](SC1)[C@@H](C(=O)O)NC(=O)[C@@H](c2ccccc2)N)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC1=C(NC(SC1)C(C(=O)O)NC(=O)C(c2ccccc2)N)C(=O)O |
