TSL
Summary
| Name: | TRANS-ENAMINE INTERMEDIATE OF SULBACTAM |
| Formula: | C8 H13 N O5 S |
| Formal charge: | 0 |
| Formula weight: | 235.258 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | N-[(1E)-3-oxoprop-1-en-1-yl]-3-sulfino-D-valine |
| OpenEye OEToolkits | 1.5.0 | (2S)-3-methyl-2-[[(E)-3-oxoprop-1-enyl]amino]-3-sulfino-butanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=S(O)C(C(N\C=C\C=O)C(=O)O)(C)C |
| InChI | InChI | 1.03 | InChI=1S/C8H13NO5S/c1-8(2,15(13)14)6(7(11)12)9-4-3-5-10/h3-6,9H,1-2H3,(H,11,12)(H,13,14)/b4-3+/t6-/m0/s1 |
| InChIKey | InChI | 1.03 | DPHUOYJKDIRKGT-YUDCMIJISA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)([C@@H](N\C=C\C=O)C(O)=O)[S](O)=O |
| SMILES | CACTVS | 3.385 | CC(C)([CH](NC=CC=O)C(O)=O)[S](O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.5 | CC(C)([C@H](C(=O)O)N/C=C/C=O)[S@@](=O)O |
| SMILES | OpenEye OEToolkits | 1.7.5 | CC(C)(C(C(=O)O)NC=CC=O)S(=O)O |
