| PDB CCD ID: | HNJ |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C17 H17 N3 O2 S |
| InChI: | InChI=1S/C17H17N3O2S/c21-23(22)16-10-4-1-7-13(16)17(19-23)18-14-8-2-3-9-15(14)20-11-5-6-12-20/h1-4,7-10H,5-6,11-12H2,(H,18,19) |
| InChIKey: | LONXCUOJVJLTIP-UHFFFAOYSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 2.0.6 | c1ccc2c(c1)C(=NS2(=O)=O)Nc3ccccc3N4CCCC4 | | ACDLabs 12.01 | C1CN(CC1)c2c(cccc2)NC=4c3c(cccc3)S(=O)(=O)N=4 | | CACTVS 3.385 | O=[S]1(=O)N=C(Nc2ccccc2N3CCCC3)c4ccccc14 |
|
| Name: | 3-{[2-(pyrrolidin-1-yl)phenyl]amino}-1H-1lambda~6~,2-benzothiazole-1,1-dione;
(3-Chloro-Phenyl)-acetic acid (S)-1-(2-tert-butoxycarbonylamino-acetyl)-pyrrolidin-2-ylmethyl ester |
| ZINC: | ZINC000005269294 |
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