CD8
Summary
| Name: | (2R)-2-[(1S)-1-(benzoylamino)-1-methoxy-2-oxoethyl]-5-methylidene-5,6-dihydro-2H-1,3-thiazine-4-carboxylic acid |
| Formula: | C16 H16 N2 O5 S |
| Formal charge: | 0 |
| Formula weight: | 348.374 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2R)-2-[(1S)-1-(benzoylamino)-1-methoxy-2-oxoethyl]-5-methylidene-5,6-dihydro-2H-1,3-thiazine-4-carboxylic acid |
| OpenEye OEToolkits | 1.7.6 | (2R)-2-[(1S)-1-benzamido-1-methoxy-2-oxidanylidene-ethyl]-5-methylidene-2H-1,3-thiazine-4-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=CC(OC)(NC(=O)c1ccccc1)C2N=C(C(=O)O)\C(=C)CS2 |
| InChI | InChI | 1.03 | InChI=1S/C16H16N2O5S/c1-10-8-24-15(17-12(10)14(21)22)16(9-19,23-2)18-13(20)11-6-4-3-5-7-11/h3-7,9,15H,1,8H2,2H3,(H,18,20)(H,21,22)/t15-,16+/m1/s1 |
| InChIKey | InChI | 1.03 | DDPBNTJUSOYARI-CVEARBPZSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | CO[C@@](NC(=O)c1ccccc1)(C=O)[C@H]2SCC(=C)C(=N2)C(O)=O |
| SMILES | CACTVS | 3.370 | CO[C](NC(=O)c1ccccc1)(C=O)[CH]2SCC(=C)C(=N2)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CO[C@@](C=O)([C@@H]1N=C(C(=C)CS1)C(=O)O)NC(=O)c2ccccc2 |
| SMILES | OpenEye OEToolkits | 1.7.6 | COC(C=O)(C1N=C(C(=C)CS1)C(=O)O)NC(=O)c2ccccc2 |
