| PDB CCD ID: | XG8 |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C13 H14 N2 O3 S3 |
| InChI: | InChI=1S/C13H14N2O3S3/c14-11(8-19)13(16)15-21(17,18)10-4-1-3-9(7-10)12-5-2-6-20-12/h1-7,11,19H,8,14H2,(H,15,16)/t11-/m0/s1 |
| InChIKey: | SSWPXZNBBMHIKF-NSHDSACASA-N |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.385 | N[CH](CS)C(=O)N[S](=O)(=O)c1cccc(c1)c2sccc2 | | OpenEye OEToolkits 2.0.7 | c1cc(cc(c1)S(=O)(=O)NC(=O)[C@H](CS)N)c2cccs2 | | ACDLabs 12.01 | SCC(N)C(=O)NS(=O)(=O)c1cccc(c1)c1cccs1 | | OpenEye OEToolkits 2.0.7 | c1cc(cc(c1)S(=O)(=O)NC(=O)C(CS)N)c2cccs2 | | CACTVS 3.385 | N[C@@H](CS)C(=O)N[S](=O)(=O)c1cccc(c1)c2sccc2 |
|
| Name: | N-[(3M)-3-(thiophen-2-yl)benzene-1-sulfonyl]-L-cysteinamide |
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