BioLiP

PDB

BioLiP

PDB CCD ID:

KCQ

Number of entries in BioLiP:

Chemical formula:

C8 H14 N2 O2

InChI:

InChI=1S/C8H14N2O2/c1-5(11)7(9)4-6-2-3-10-8(6)12/h6-7H,2-4,9H2,1H3,(H,10,12)/t6-,7-/m0/s1

InChIKey:

SFDIYLJAXOWYNO-BQBZGAKWSA-N

SMILES:

Software	SMILES
CACTVS 3.385	CC(=O)[CH](N)C[CH]1CCNC1=O
CACTVS 3.385	CC(=O)[C@@H](N)C[C@@H]1CCNC1=O
ACDLabs 10.04	O=C1NCCC1CC(N)C(=O)C
OpenEye OEToolkits 1.7.5	CC(=O)[C@H](C[C@@H]1CCNC1=O)N
OpenEye OEToolkits 1.7.5	CC(=O)C(CC1CCNC1=O)N

Name:

(3S)-3-[(2S)-2-AMINO-3-OXOBUTYL]PYRROLIDIN-2-ONE

ZINC:

ZINC000060272990

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).