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BioLiP

PDB CCD ID: CFG
Number of entries in BioLiP: 2
Chemical formula: C23 H27 N3 O5 Si
InChI: InChI=1S/C23H27N3O5Si/c1-26(23(29)19-14-20(27)25-31-19)21(15-6-10-17(30-2)11-7-15)22(28)24-16-8-12-18(13-9-16)32(3,4)5/h6-14,21H,1-5H3,(H,24,28)(H,25,27)/t21-/m1/s1
InChIKey: RQLIWGALGGOPGM-OAQYLSRUSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6CN(C(c1ccc(cc1)OC)C(=O)Nc2ccc(cc2)[Si](C)(C)C)C(=O)C3=CC(=O)NO3
OpenEye OEToolkits 2.0.6CN([C@H](c1ccc(cc1)OC)C(=O)Nc2ccc(cc2)[Si](C)(C)C)C(=O)C3=CC(=O)NO3
CACTVS 3.385COc1ccc(cc1)[CH](N(C)C(=O)C2=CC(=O)NO2)C(=O)Nc3ccc(cc3)[Si](C)(C)C
CACTVS 3.385COc1ccc(cc1)[C@@H](N(C)C(=O)C2=CC(=O)NO2)C(=O)Nc3ccc(cc3)[Si](C)(C)C
ACDLabs 12.01c3cc(C(C(=O)Nc1ccc(cc1)[Si](C)(C)C)N(C)C(C2=CC(=O)NO2)=O)ccc3OC
Name:N-[(1R)-1-(4-methoxyphenyl)-2-oxo-2-{[4-(trimethylsilyl)phenyl]amino}ethyl]-N-methyl-3-oxo-2,3-dihydro-1,2-oxazole-5-carboxamide
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023)(download the PDF file).
  • Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).

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