BioLiP

PDB

BioLiP

PDB CCD ID:

A1D8R

Number of entries in BioLiP:

Chemical formula:

C6 H14 N2 O2

InChI:

InChI=1S/C6H14N2O2/c1-6(2,3-7)4(8)5(9)10/h4H,3,7-8H2,1-2H3,(H,9,10)/t4-/m1/s1

InChIKey:

CCTPBLHNQLRMPA-SCSAIBSYSA-N

SMILES:

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

Name:

(2~{S})-2,4-bis(azanyl)-3,3-dimethyl-butanoic acid

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).