| PDB CCD ID: | TBL |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C10 H13 N O5 S |
| InChI: | InChI=1S/C10H13NO5S/c1-7(10(12)13)11-17(14,15)9-5-3-8(16-2)4-6-9/h3-7,11H,1-2H3,(H,12,13)/t7-/m1/s1 |
| InChIKey: | XTCIPBHRVYICGT-SSDOTTSWSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 1.5.0 | C[C@H](C(=O)O)NS(=O)(=O)c1ccc(cc1)OC | | CACTVS 3.341 | COc1ccc(cc1)[S](=O)(=O)N[CH](C)C(O)=O | | CACTVS 3.341 | COc1ccc(cc1)[S](=O)(=O)N[C@H](C)C(O)=O | | ACDLabs 10.04 | O=C(O)C(NS(=O)(=O)c1ccc(OC)cc1)C | | OpenEye OEToolkits 1.5.0 | CC(C(=O)O)NS(=O)(=O)c1ccc(cc1)OC |
|
| Name: | N-[(4-methoxyphenyl)sulfonyl]-D-alanine;
(R)-2-(4-methoxyphenylsulfonamido)propanoic acid |
| DrugBank: | DB08599 |
| ZINC: | ZINC000000091137 |
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