| PDB CCD ID: | 48W |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C23 H27 Cl N4 O5 S |
| InChI: | InChI=1S/C23H27ClN4O5S/c1-15(22(30)27-9-8-21(29)26(2)11-12-27)28-10-7-20(23(28)31)25-34(32,33)19-6-4-16-13-18(24)5-3-17(16)14-19/h3-6,13-15,20,25H,7-12H2,1-2H3/t15-,20-/m0/s1 |
| InChIKey: | USQCUKQZXOWUDF-YWZLYKJASA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 1.9.2 | CC(C(=O)N1CCC(=O)N(CC1)C)N2CCC(C2=O)NS(=O)(=O)c3ccc4cc(ccc4c3)Cl | | OpenEye OEToolkits 1.9.2 | C[C@@H](C(=O)N1CCC(=O)N(CC1)C)N2CC[C@@H](C2=O)NS(=O)(=O)c3ccc4cc(ccc4c3)Cl | | CACTVS 3.385 | C[CH](N1CC[CH](N[S](=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O)C(=O)N4CCN(C)C(=O)CC4 | | CACTVS 3.385 | C[C@H](N1CC[C@H](N[S](=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O)C(=O)N4CCN(C)C(=O)CC4 | | ACDLabs 12.01 | O=C4N(C)CCN(C(=O)C(N3C(=O)C(NS(=O)(=O)c2cc1ccc(Cl)cc1cc2)CC3)C)CC4 |
|
| Name: | 6-chloro-N-{(3S)-1-[(2S)-1-(4-methyl-5-oxo-1,4-diazepan-1-yl)-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl}naphthalene-2-sulf onamide;
GTC000398 |
| ZINC: | ZINC000033991173 |
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