BioLiP

PDB

BioLiP

PDB CCD ID:

RFT

Number of entries in BioLiP:

Chemical formula:

C15 H24 N2 O3 S3

InChI:

InChI=1S/C15H24N2O3S3/c1-4-5-10-22-14(21)23-15(2,3)13(20)16-8-9-17-11(18)6-7-12(17)19/h4-10H2,1-3H3,(H,16,20)

InChIKey:

RVSHKKVKYZTEOC-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385 OpenEye OEToolkits 2.0.7	CCCCSC(=S)SC(C)(C)C(=O)NCCN1C(=O)CCC1=O
ACDLabs 12.01	C(C(SC(SCCCC)=S)(C)C)(NCCN1C(CCC1=O)=O)=O

Name:

butyl 1-{[2-(2,5-dioxopyrrolidin-1-yl)ethyl]amino}-2-methyl-1-oxopropan-2-yl carbonotrithioate

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).