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BioLiP

PDB CCD ID: TPJ
Number of entries in BioLiP: 0
Chemical formula: C9 H17 N O2
InChI: InChI=1S/C9H17NO2/c1-9(2,3)7-5-4-6(10-7)8(11)12/h6-7,10H,4-5H2,1-3H3,(H,11,12)/t6-,7+/m0/s1
InChIKey: ARIXRQYKVWBGSB-NKWVEPMBSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CC(C)(C)[C@H]1CC[C@H](N1)C(O)=O
ACDLabs 12.01O=C(O)C1NC(C(C)(C)C)CC1
OpenEye OEToolkits 1.9.2CC(C)(C)C1CCC(N1)C(=O)O
OpenEye OEToolkits 1.9.2CC(C)(C)[C@H]1CC[C@H](N1)C(=O)O
CACTVS 3.385CC(C)(C)[CH]1CC[CH](N1)C(O)=O
Name:(5R)-5-tert-butyl-L-proline
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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