BioLiP

PDB

BioLiP

PDB CCD ID:

UIL

Number of entries in BioLiP:

Chemical formula:

C7 H16 N2 O2

InChI:

InChI=1S/C7H16N2O2/c1-5(2)3-6(4-8)9-7(10)11/h5-6,9H,3-4,8H2,1-2H3,(H,10,11)/t6-/m1/s1

InChIKey:

RJJBFDBMVBMWRB-ZCFIWIBFSA-N

SMILES:

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

Name:

[(2~{R})-1-azanyl-4-methyl-pentan-2-yl]carbamic 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).