| PDB CCD ID: | P5U |
| Number of entries in BioLiP: | 0 |
| Chemical formula: | C10 H10 N2 O5 S |
| InChI: | InChI=1S/C10H10N2O5S/c11-5-7-1-3-8(4-2-7)18(15,16)17-6-9(12)10(13)14/h1-4,9H,6,12H2,(H,13,14)/t9-/m0/s1 |
| InChIKey: | BGAKRHOBIFFXJD-VIFPVBQESA-N |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.385 | N[C@@H](CO[S](=O)(=O)c1ccc(cc1)C#N)C(O)=O | | OpenEye OEToolkits 2.0.6 | c1cc(ccc1C#N)S(=O)(=O)OCC(C(=O)O)N | | ACDLabs 12.01 | NC(C(=O)O)COS(c1ccc(cc1)C#N)(=O)=O | | CACTVS 3.385 | N[CH](CO[S](=O)(=O)c1ccc(cc1)C#N)C(O)=O | | OpenEye OEToolkits 2.0.6 | c1cc(ccc1C#N)S(=O)(=O)OC[C@@H](C(=O)O)N |
|
| Name: | O-[(4-cyanophenyl)sulfonyl]-L-serine |
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