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BioLiP

PDB CCD ID: 9U0
Number of entries in BioLiP: 1
Chemical formula: C15 H26 N2 O4
InChI: InChI=1S/C15H26N2O4/c16-13(14(18)19)10-6-7-11-17-15(20)21-12-8-4-2-1-3-5-9-12/h4,8,12-13H,1-3,5-7,9-11,16H2,(H,17,20)(H,18,19)/t12-,13+/m1/s1
InChIKey: RIPRFLAPFPCYBY-OLZOCXBDSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6C1CCC=CC(CC1)OC(=O)NCCCC[C@@H](C(=O)O)N
ACDLabs 12.01C=1C(CCCCCC=1)OC(NCCCCC(C(O)=O)N)=O
CACTVS 3.385N[CH](CCCCNC(=O)O[CH]1CCCCCC=C1)C(O)=O
CACTVS 3.385N[C@@H](CCCCNC(=O)O[C@H]/1CCCCC\C=C/1)C(O)=O
OpenEye OEToolkits 2.0.6C1CCC=CC(CC1)OC(=O)NCCCCC(C(=O)O)N
Name:N6-({[(1S,2E)-cyclooct-2-en-1-yl]oxy}carbonyl)-L-lysine
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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