| PDB CCD ID: | NZ2 |
| Number of entries in BioLiP: | 5 |
| Chemical formula: | C10 H13 N O4 S |
| InChI: | InChI=1S/C10H13NO4S/c1-8(10(12)13)11(16(2,14)15)9-6-4-3-5-7-9/h3-8H,1-2H3,(H,12,13)/t8-/m0/s1 |
| InChIKey: | RIWCJTAAIOCFTR-QMMMGPOBSA-N |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.370 | C[CH](N(c1ccccc1)[S](C)(=O)=O)C(O)=O | | ACDLabs 12.01 | O=S(=O)(N(c1ccccc1)C(C(=O)O)C)C | | OpenEye OEToolkits 1.7.6 | C[C@@H](C(=O)O)N(c1ccccc1)S(=O)(=O)C | | CACTVS 3.370 | C[C@H](N(c1ccccc1)[S](C)(=O)=O)C(O)=O | | OpenEye OEToolkits 1.7.6 | CC(C(=O)O)N(c1ccccc1)S(=O)(=O)C |
|
| Name: | N-(methylsulfonyl)-N-phenyl-L-alanine |
| ZINC: | ZINC000005676613 |
umich.edu