BioLiP

PDB

BioLiP

PDB CCD ID:

7J4

Number of entries in BioLiP:

Chemical formula:

C8 H16 N2 O4

InChI:

InChI=1S/C8H16N2O4/c1-8(2,3)14-10-6(11)4-5(9)7(12)13/h5H,4,9H2,1-3H3,(H,10,11)(H,12,13)/t5-/m0/s1

InChIKey:

MNWLLGIIPOONPX-YFKPBYRVSA-N

SMILES:

Software	SMILES
CACTVS 3.385	CC(C)(C)ONC(=O)C[C@H](N)C(O)=O
CACTVS 3.385	CC(C)(C)ONC(=O)C[CH](N)C(O)=O
ACDLabs 12.01	O=C(C(CC(NOC(C)(C)C)=O)N)O
OpenEye OEToolkits 2.0.6	CC(C)(C)ONC(=O)C[C@@H](C(=O)O)N
OpenEye OEToolkits 2.0.6	CC(C)(C)ONC(=O)CC(C(=O)O)N

Name:

N-tert-butoxy-L-asparagine

ZINC:

ZINC000584905404

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).