| PDB CCD ID: | 885 |
| Number of entries in BioLiP: | 2 |
| Chemical formula: | C12 H15 Cl N2 O4 S |
| InChI: | InChI=1S/C12H15ClN2O4S/c1-7-5-11(9(14)6-8(7)13)20(18,19)15-4-2-3-10(15)12(16)17/h5-6,10H,2-4,14H2,1H3,(H,16,17)/t10-/m0/s1 |
| InChIKey: | OWYKAFABUYXQLE-JTQLQIEISA-N |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.341 | Cc1cc(c(N)cc1Cl)[S](=O)(=O)N2CCC[CH]2C(O)=O | | CACTVS 3.341 | Cc1cc(c(N)cc1Cl)[S](=O)(=O)N2CCC[C@H]2C(O)=O | | ACDLabs 10.04 | O=C(O)C2N(S(=O)(=O)c1cc(c(Cl)cc1N)C)CCC2 | | OpenEye OEToolkits 1.5.0 | Cc1cc(c(cc1Cl)N)S(=O)(=O)N2CCCC2C(=O)O | | OpenEye OEToolkits 1.5.0 | Cc1cc(c(cc1Cl)N)S(=O)(=O)[N@@]2CCC[C@H]2C(=O)O |
|
| Name: | 1-[(2-AMINO-4-CHLORO-5-METHYLPHENYL)SULFONYL]-L-PROLINE;
1-(2-AMINO-4-CHLORO-5-METHYLPHENYLSULFONYL)PYRROLIDINE-2-CARBOXYLIC ACID |
| ChEMBL: | CHEMBL210593 |
| DrugBank: | DB07273 |
| ZINC: | ZINC000013687256 |
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