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BioLiP

PDB CCD ID: BL2
Number of entries in BioLiP: 2
Chemical formula: C11 H21 N O4
InChI: InChI=1S/C11H21NO4/c1-7(2)6-8(9(13)14)12-10(15)16-11(3,4)5/h7-8H,6H2,1-5H3,(H,12,15)(H,13,14)/t8-/m0/s1
InChIKey: MDXGYYOJGPFFJL-QMMMGPOBSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01O=C(OC(C)(C)C)NC(C(=O)O)CC(C)C
OpenEye OEToolkits 1.7.6CC(C)CC(C(=O)O)NC(=O)OC(C)(C)C
CACTVS 3.370CC(C)C[C@H](NC(=O)OC(C)(C)C)C(O)=O
OpenEye OEToolkits 1.7.6CC(C)C[C@@H](C(=O)O)NC(=O)OC(C)(C)C
CACTVS 3.370CC(C)C[CH](NC(=O)OC(C)(C)C)C(O)=O
Name:N-(tert-butoxycarbonyl)-L-leucine
ChEMBL: CHEMBL1222009
ZINC: ZINC000082069866
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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