BioLiP

PDB

BioLiP

PDB CCD ID:

NLB

Number of entries in BioLiP:

Chemical formula:

C13 H19 N O3

InChI:

InChI=1S/C13H19NO3/c14-12(13(15)16)8-4-5-9-17-10-11-6-2-1-3-7-11/h1-3,6-7,12H,4-5,8-10,14H2,(H,15,16)/t12-/m0/s1

InChIKey:

RPGCAWCHHYWJIF-LBPRGKRZSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.9.2	c1ccc(cc1)COCCCC[C@@H](C(=O)O)N
OpenEye OEToolkits 1.9.2	c1ccc(cc1)COCCCCC(C(=O)O)N
CACTVS 3.385	N[CH](CCCCOCc1ccccc1)C(O)=O
ACDLabs 12.01	O=C(O)C(N)CCCCOCc1ccccc1
CACTVS 3.385	N[C@@H](CCCCOCc1ccccc1)C(O)=O

Name:

6-(benzyloxy)-L-norleucine

ZINC:

ZINC000002509856

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).