CD6
Summary
| Name: | (2R)-5-methylidene-2-{(1R)-2-oxo-1-[(phenylacetyl)amino]ethyl}-5,6-dihydro-2H-1,3-thiazine-4-carboxylic acid |
| Formula: | C16 H16 N2 O4 S |
| Formal charge: | 0 |
| Formula weight: | 332.374 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2R)-5-methylidene-2-{(1R)-2-oxo-1-[(phenylacetyl)amino]ethyl}-5,6-dihydro-2H-1,3-thiazine-4-carboxylic acid |
| OpenEye OEToolkits | 1.7.6 | (2R)-5-methylidene-2-[(1R)-2-oxidanylidene-1-(2-phenylethanoylamino)ethyl]-2H-1,3-thiazine-4-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=CC(NC(=O)Cc1ccccc1)C2N=C(C(=O)O)\C(=C)CS2 |
| InChI | InChI | 1.03 | InChI=1S/C16H16N2O4S/c1-10-9-23-15(18-14(10)16(21)22)12(8-19)17-13(20)7-11-5-3-2-4-6-11/h2-6,8,12,15H,1,7,9H2,(H,17,20)(H,21,22)/t12-,15-/m1/s1 |
| InChIKey | InChI | 1.03 | ISCTZDPSWLBTMN-IUODEOHRSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | OC(=O)C1=N[C@H](SCC1=C)[C@H](NC(=O)Cc2ccccc2)C=O |
| SMILES | CACTVS | 3.370 | OC(=O)C1=N[CH](SCC1=C)[CH](NC(=O)Cc2ccccc2)C=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | C=C1CS[C@@H](N=C1C(=O)O)[C@@H](C=O)NC(=O)Cc2ccccc2 |
| SMILES | OpenEye OEToolkits | 1.7.6 | C=C1CSC(N=C1C(=O)O)C(C=O)NC(=O)Cc2ccccc2 |
