BioLiP

PDB

BioLiP

PDB CCD ID:

CEV

Number of entries in BioLiP:

Chemical formula:

C11 H20 N2 O3

InChI:

InChI=1S/C11H20N2O3/c1-2-16-10(14)4-3-9(12)7-8-5-6-13-11(8)15/h8-9H,2-7,12H2,1H3,(H,13,15)/t8-,9+/m0/s1

InChIKey:

BLWBKGMLORNBPP-DTWKUNHWSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.2	CCOC(=O)CCC(CC1CCNC1=O)N
CACTVS 3.370	CCOC(=O)CC[C@@H](N)C[C@@H]1CCNC1=O
OpenEye OEToolkits 1.7.2	CCOC(=O)CC[C@H](C[C@@H]1CCNC1=O)N
CACTVS 3.370	CCOC(=O)CC[CH](N)C[CH]1CCNC1=O
ACDLabs 12.01	O=C1NCCC1CC(N)CCC(=O)OCC

Name:

ethyl (4R)-4-amino-5-[(3S)-2-oxopyrrolidin-3-yl]pentanoate

ZINC:

ZINC000098208738

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).