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BioLiP

PDB CCD ID: ZQN
Number of entries in BioLiP: 0
Chemical formula: C10 H19 N O4
InChI: InChI=1S/C10H19NO4/c1-6(2)7(8(12)13)11-9(14)15-10(3,4)5/h6-7H,1-5H3,(H,11,14)(H,12,13)/t7-/m0/s1
InChIKey: SZXBQTSZISFIAO-ZETCQYMHSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7CC(C)C(C(=O)O)NC(=O)OC(C)(C)C
CACTVS 3.385CC(C)[CH](NC(=O)OC(C)(C)C)C(O)=O
CACTVS 3.385CC(C)[C@H](NC(=O)OC(C)(C)C)C(O)=O
Name:N-(TERT-BUTYLOXYCARBONYL)-VALINE;
N-BOC-VALINE
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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