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BioLiP

PDB CCD ID: 7J4
Number of entries in BioLiP: 0
Chemical formula: C8 H16 N2 O4
InChI: InChI=1S/C8H16N2O4/c1-8(2,3)14-10-6(11)4-5(9)7(12)13/h5H,4,9H2,1-3H3,(H,10,11)(H,12,13)/t5-/m0/s1
InChIKey: MNWLLGIIPOONPX-YFKPBYRVSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CC(C)(C)ONC(=O)C[C@H](N)C(O)=O
CACTVS 3.385CC(C)(C)ONC(=O)C[CH](N)C(O)=O
ACDLabs 12.01O=C(C(CC(NOC(C)(C)C)=O)N)O
OpenEye OEToolkits 2.0.6CC(C)(C)ONC(=O)C[C@@H](C(=O)O)N
OpenEye OEToolkits 2.0.6CC(C)(C)ONC(=O)CC(C(=O)O)N
Name:N-tert-butoxy-L-asparagine
ZINC: ZINC000584905404
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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