BioLiP

PDB

BioLiP

PDB CCD ID:

LBY

Number of entries in BioLiP:

Chemical formula:

C11 H22 N2 O4

InChI:

InChI=1S/C11H22N2O4/c1-11(2,3)17-10(16)13-7-5-4-6-8(12)9(14)15/h8H,4-7,12H2,1-3H3,(H,13,16)(H,14,15)/t8-/m0/s1

InChIKey:

VVQIIIAZJXTLRE-QMMMGPOBSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.6	CC(C)(C)OC(=O)NCCCCC(C(=O)O)N
OpenEye OEToolkits 1.7.6	CC(C)(C)OC(=O)NCCCC[C@@H](C(=O)O)N
CACTVS 3.370	CC(C)(C)OC(=O)NCCCC[CH](N)C(O)=O
ACDLabs 12.01	O=C(OC(C)(C)C)NCCCCC(C(=O)O)N
CACTVS 3.370	CC(C)(C)OC(=O)NCCCC[C@H](N)C(O)=O

Name:

N~6~-(tert-butoxycarbonyl)-L-lysine

ZINC:

ZINC000002384792

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).