BioLiP

PDB

BioLiP

PDB CCD ID:

KR3

Number of entries in BioLiP:

Chemical formula:

C9 H18 N2 O4

InChI:

InChI=1S/C9H18N2O4/c1-2-15-9(14)11-6-4-3-5-7(10)8(12)13/h7H,2-6,10H2,1H3,(H,11,14)(H,12,13)/t7-/m0/s1

InChIKey:

XMVZHEKLZHYPQS-ZETCQYMHSA-N

SMILES:

Software	SMILES
CACTVS 3.385	CCOC(=O)NCCCC[C@H](N)C(O)=O
ACDLabs 12.01	O=C(NCCCCC(N)C(=O)O)OCC
CACTVS 3.385	CCOC(=O)NCCCC[CH](N)C(O)=O
OpenEye OEToolkits 2.0.7	CCOC(=O)NCCCC[C@@H](C(=O)O)N
OpenEye OEToolkits 2.0.7	CCOC(=O)NCCCCC(C(=O)O)N

Name:

N~6~-(ethoxycarbonyl)-L-lysine

ZINC:

ZINC000002041390

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).