BioLiP

PDB

BioLiP

PDB CCD ID:

LHE

Number of entries in BioLiP:

Chemical formula:

C12 H26 N2 O3

InChI:

InChI=1S/C12H26N2O3/c1-4-5-10(12(16)17)14-7-11(15)9(13)6-8(2)3/h8-11,14-15H,4-7,13H2,1-3H3,(H,16,17)/t9-,10-,11+/m0/s1

InChIKey:

WENKKRZBAKQUEN-GARJFASQSA-N

SMILES:

Software	SMILES
CACTVS 3.385	CCC[CH](NC[CH](O)[CH](N)CC(C)C)C(O)=O
OpenEye OEToolkits 1.9.2	CCCC(C(=O)O)NCC(C(CC(C)C)N)O
ACDLabs 12.01	O=C(O)C(NCC(O)C(N)CC(C)C)CCC
OpenEye OEToolkits 1.9.2	CCC[C@@H](C(=O)O)NC[C@H]([C@H](CC(C)C)N)O
CACTVS 3.385	CCC[C@H](NC[C@@H](O)[C@@H](N)CC(C)C)C(O)=O

Name:

N-[(2R,3S)-3-amino-2-hydroxy-5-methylhexyl]-L-norvaline

ZINC:

ZINC000263621173

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).