BioLiP

PDB

BioLiP

PDB CCD ID:

RHS

Number of entries in BioLiP:

Chemical formula:

C13 H26 N2 O2

InChI:

InChI=1S/C13H26N2O2/c1-6-9(7-2)15-11(16)8-10(12(14)17)13(3,4)5/h9-10H,6-8H2,1-5H3,(H2,14,17)(H,15,16)/t10-/m0/s1

InChIKey:

UVHRROJQACYJNP-JTQLQIEISA-N

SMILES:

Software	SMILES
CACTVS 3.341	CCC(CC)NC(=O)C[CH](C(N)=O)C(C)(C)C
ACDLabs 10.04	O=C(NC(CC)CC)CC(C(=O)N)C(C)(C)C
OpenEye OEToolkits 1.5.0	CCC(CC)NC(=O)CC(C(=O)N)C(C)(C)C
OpenEye OEToolkits 1.5.0	CCC(CC)NC(=O)C[C@@H](C(=O)N)C(C)(C)C
CACTVS 3.341	CCC(CC)NC(=O)C[C@@H](C(N)=O)C(C)(C)C

Name:

3-(CARBOXYAMIDE(2-CARBOXYAMIDE-2-TERTBUTYLETHYL))PENTAN

DrugBank:

DB08474

ZINC:

ZINC000006591680

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).