BioLiP

PDB

BioLiP

PDB CCD ID:

9U0

Number of entries in BioLiP:

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:

Software	SMILES
OpenEye OEToolkits 2.0.6	C1CCC=CC(CC1)OC(=O)NCCCC[C@@H](C(=O)O)N
ACDLabs 12.01	C=1C(CCCCCC=1)OC(NCCCCC(C(O)=O)N)=O
CACTVS 3.385	N[CH](CCCCNC(=O)O[CH]1CCCCCC=C1)C(O)=O
CACTVS 3.385	N[C@@H](CCCCNC(=O)O[C@H]/1CCCCC\C=C/1)C(O)=O
OpenEye OEToolkits 2.0.6	C1CCC=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, Lydia 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).