BioLiP

PDB

BioLiP

PDB CCD ID:

URL

Number of entries in BioLiP:

Chemical formula:

C7 H16 N2 O2

InChI:

InChI=1S/C7H16N2O2/c1-5(2)3-6(8)4-9-7(10)11/h5-6,9H,3-4,8H2,1-2H3,(H,10,11)/t6-/m0/s1

InChIKey:

MUXHOSWJKVCQIF-LURJTMIESA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	CC(C)CC(CNC(=O)O)N
OpenEye OEToolkits 2.0.6	CC(C)C[C@@H](CNC(=O)O)N
CACTVS 3.385	CC(C)C[C@H](N)CNC(O)=O
CACTVS 3.385	CC(C)C[CH](N)CNC(O)=O

Name:

[(2~{S})-2-azanyl-4-methyl-pentyl]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).