BioLiP

PDB

BioLiP

PDB CCD ID:

Z0A

Number of entries in BioLiP:

Chemical formula:

C10 H18 N2 O2

InChI:

InChI=1S/C10H18N2O2/c1-7(13)2-3-9(11)6-8-4-5-12-10(8)14/h8-9H,2-6,11H2,1H3,(H,12,14)/t8-,9+/m0/s1

InChIKey:

GWPIOALDPNACHZ-DTWKUNHWSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.0	CC(=O)CCC(CC1CCNC1=O)N
ACDLabs 12.01	O=C1NCCC1CC(N)CCC(=O)C
OpenEye OEToolkits 1.7.0	CC(=O)CC[C@H](C[C@@H]1CCNC1=O)N
CACTVS 3.370	CC(=O)CC[CH](N)C[CH]1CCNC1=O
CACTVS 3.370	CC(=O)CC[C@@H](N)C[C@@H]1CCNC1=O

Name:

(3S)-3-[(2R)-2-amino-5-oxohexyl]pyrrolidin-2-one

ZINC:

ZINC000098209655

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).