BioLiP

PDB

BioLiP

PDB CCD ID:

ZQN

Number of entries in BioLiP:

Chemical formula:

C10 H19 N O4

InChI:

InChI=1S/C10H19NO4/c1-6(2)7(8(12)13)11-9(14)15-10(3,4)5/h6-7H,1-5H3,(H,11,14)(H,12,13)/t7-/m0/s1

InChIKey:

SZXBQTSZISFIAO-ZETCQYMHSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	CC(C)C(C(=O)O)NC(=O)OC(C)(C)C
CACTVS 3.385	CC(C)[CH](NC(=O)OC(C)(C)C)C(O)=O
CACTVS 3.385	CC(C)[C@H](NC(=O)OC(C)(C)C)C(O)=O

Name:

N-(TERT-BUTYLOXYCARBONYL)-VALINE;
N-BOC-VALINE

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).