BioLiP

PDB

BioLiP

PDB CCD ID:

Y57

Number of entries in BioLiP:

Chemical formula:

C17 H28 N2 O2

InChI:

InChI=1S/C17H28N2O2/c1-14(2)19(12-7-6-10-16(18)17(20)21)13-11-15-8-4-3-5-9-15/h3-5,8-9,14,16H,6-7,10-13,18H2,1-2H3,(H,20,21)/t16-/m0/s1

InChIKey:

XGCVHMMQJAIVRH-INIZCTEOSA-N

SMILES:

Software	SMILES
CACTVS 3.385	CC(C)N(CCCC[C@H](N)C(O)=O)CCc1ccccc1
OpenEye OEToolkits 2.0.7	CC(C)N(CCCC[C@@H](C(=O)O)N)CCc1ccccc1
ACDLabs 12.01	C(C)(C)N(CCCCC(N)C(=O)O)CCc1ccccc1
OpenEye OEToolkits 2.0.7	CC(C)N(CCCCC(C(=O)O)N)CCc1ccccc1
CACTVS 3.385	CC(C)N(CCCC[CH](N)C(O)=O)CCc1ccccc1

Name:

N~6~-(2-phenylethyl)-N~6~-propan-2-yl-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).