BioLiP

PDB

BioLiP

PDB CCD ID:

OEE

Number of entries in BioLiP:

Chemical formula:

C11 H19 N O4

InChI:

InChI=1S/C11H19NO4/c1-8(14)6-11(5,7-13)12-9(15)16-10(2,3)4/h7,14H,1,6H2,2-5H3,(H,12,15)/t11-/m0/s1

InChIKey:

DGQSAFHPNXJDHT-NSHDSACASA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	CC(C)(C)OC(=O)NC(C)(CC(=C)O)C=O
CACTVS 3.385	CC(C)(C)OC(=O)N[C@@](C)(CC(O)=C)C=O
OpenEye OEToolkits 2.0.7	C[C@](CC(=C)O)(C=O)NC(=O)OC(C)(C)C
CACTVS 3.385	CC(C)(C)OC(=O)N[C](C)(CC(O)=C)C=O

Name:

~{tert}-butyl ~{N}-[(2~{S})-2-methyl-4-oxidanyl-1-oxidanylidene-pent-4-en-2-yl]carbamate

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).