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BioLiP

PDB CCD ID: ZT6
Number of entries in BioLiP: 0
Chemical formula: C18 H30 Cl N O4 Si
InChI: InChI=1S/C18H30ClNO4Si/c1-10(2)25(11(3)4,12(5)6)24-17(16(20)18(22)23)13-7-8-15(21)14(19)9-13/h7-12,16-17,21H,20H2,1-6H3,(H,22,23)/t16-,17+/m0/s1
InChIKey: FNRYKHQDTZHUJG-DLBZAZTESA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CC(C)[Si](O[CH]([CH](N)C(O)=O)c1ccc(O)c(Cl)c1)(C(C)C)C(C)C
OpenEye OEToolkits 2.0.7CC(C)[Si](C(C)C)(C(C)C)O[C@H](c1ccc(c(c1)Cl)O)[C@@H](C(=O)O)N
ACDLabs 12.01Oc1ccc(cc1Cl)C(O[Si](C(C)C)(C(C)C)C(C)C)C(N)C(=O)O
OpenEye OEToolkits 2.0.7CC(C)[Si](C(C)C)(C(C)C)OC(c1ccc(c(c1)Cl)O)C(C(=O)O)N
CACTVS 3.385CC(C)[Si](O[C@@H]([C@H](N)C(O)=O)c1ccc(O)c(Cl)c1)(C(C)C)C(C)C
Name:(betaR)-3-chloro-beta-{[tri(propan-2-yl)silyl]oxy}-L-tyrosine
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).
  • 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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