| PDB CCD ID: | CRL |
| Number of entries in BioLiP: | 2 |
| Chemical formula: | C17 H30 N4 O5 S Si |
| InChI: | InChI=1S/C17H30N4O5SSi/c1-28(2,3)12-14(19-16(23)21-6-8-26-9-7-21)15(22)20-17(13-18)4-10-27(24,25)11-5-17/h14H,4-12H2,1-3H3,(H,19,23)(H,20,22)/t14-/m0/s1 |
| InChIKey: | VASVHRZIUGJLOH-AWEZNQCLSA-N |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.341 | C[Si](C)(C)C[CH](NC(=O)N1CCOCC1)C(=O)NC2(CC[S](=O)(=O)CC2)C#N | | OpenEye OEToolkits 1.5.0 | C[Si](C)(C)C[C@@H](C(=O)NC1(CCS(=O)(=O)CC1)C#N)NC(=O)N2CCOCC2 | | CACTVS 3.341 | C[Si](C)(C)C[C@H](NC(=O)N1CCOCC1)C(=O)NC2(CC[S](=O)(=O)CC2)C#N | | OpenEye OEToolkits 1.5.0 | C[Si](C)(C)CC(C(=O)NC1(CCS(=O)(=O)CC1)C#N)NC(=O)N2CCOCC2 | | ACDLabs 10.04 | O=S2(=O)CCC(C#N)(NC(=O)C(NC(=O)N1CCOCC1)C[Si](C)(C)C)CC2 |
|
| Name: | N-{(1R)-2-[(4-CYANO-1,1-DIOXIDOTETRAHYDRO-2H-THIOPYRAN-4-YL)AMINO]-2-OXO-1-[(TRIMETHYLSILYL)METHYL]ETHYL}MORPHOLINE-4-CARBOXAMIDE |
| ZINC: | ZINC000196111603 |
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