| PDB CCD ID: | N0N |
| Number of entries in BioLiP: | 10 |
| Chemical formula: | C24 H37 N3 O6 S |
| InChI: | InChI=1S/C24H37N3O6S/c1-27(2)19-11-7-10-17-16(19)9-8-12-20(17)34(32,33)26-14-6-4-3-5-13-25-21-18(15-28)22(29)24(31)23(21)30/h7-12,18,21-26,28-31H,3-6,13-15H2,1-2H3/t18-,21+,22-,23-,24-/m0/s1 |
| InChIKey: | UQDXIILZCYJPNV-GXWFBMCDSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 2.0.7 | CN(C)c1cccc2c1cccc2S(=O)(=O)NCCCCCCNC3C(C(C(C3O)O)O)CO | | CACTVS 3.385 | CN(C)c1cccc2c1cccc2[S](=O)(=O)NCCCCCCN[C@H]3[C@H](O)[C@@H](O)[C@@H](O)[C@H]3CO | | OpenEye OEToolkits 2.0.7 | CN(C)c1cccc2c1cccc2S(=O)(=O)NCCCCCCN[C@@H]3[C@@H]([C@@H]([C@@H]([C@H]3O)O)O)CO | | CACTVS 3.385 | CN(C)c1cccc2c1cccc2[S](=O)(=O)NCCCCCCN[CH]3[CH](O)[CH](O)[CH](O)[CH]3CO |
|
| Name: | 5-(dimethylamino)-~{N}-[6-[[(1~{R},2~{R},3~{S},4~{S},5~{S})-2-(hydroxymethyl)-3,4,5-tris(oxidanyl)cyclopentyl]amino]hexyl]naphthalene-1-sulfonamide |
| ChEMBL: | CHEMBL4069909 |
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