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BioLiP

PDB CCD ID: ZU0
Number of entries in BioLiP: 0
Chemical formula: C8 H17 N O3
InChI: InChI=1S/C8H17NO3/c1-5(6(9)7(10)11)12-8(2,3)4/h5-6H,9H2,1-4H3,(H,10,11)/t5-,6+/m1/s1
InChIKey: NMJINEMBBQVPGY-RITPCOANSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.0CC(C(C(=O)O)N)OC(C)(C)C
CACTVS 3.370C[CH](OC(C)(C)C)[CH](N)C(O)=O
CACTVS 3.370C[C@@H](OC(C)(C)C)[C@H](N)C(O)=O
ACDLabs 12.01O=C(O)C(N)C(OC(C)(C)C)C
OpenEye OEToolkits 1.7.0C[C@H]([C@@H](C(=O)O)N)OC(C)(C)C
Name:O-tert-butyl-L-threonine
ZINC: ZINC000000404775
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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