BioLiP

PDB

BioLiP

PDB CCD ID:

M6J

Number of entries in BioLiP:

Chemical formula:

C14 H18 N2 O3

InChI:

InChI=1S/C14H18N2O3/c15-11(14(18)19)9-13(17)16-8-4-7-12(16)10-5-2-1-3-6-10/h1-3,5-6,11-12H,4,7-9,15H2,(H,18,19)/t11-,12+/m0/s1

InChIKey:

NLDYOOGTZZVPGN-NWDGAFQWSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1ccc(cc1)C2CCCN2C(=O)CC(C(=O)O)N
ACDLabs 12.01	C2C(c1ccccc1)N(C(CC(C(=O)O)N)=O)CC2
CACTVS 3.385	N[C@@H](CC(=O)N1CCC[C@@H]1c2ccccc2)C(O)=O
OpenEye OEToolkits 2.0.7	c1ccc(cc1)[C@H]2CCCN2C(=O)C[C@@H](C(=O)O)N
CACTVS 3.385	N[CH](CC(=O)N1CCC[CH]1c2ccccc2)C(O)=O

Name:

(2S)-2-amino-4-oxo-4-[(2R)-2-phenylpyrrolidin-1-yl]butanoic acid

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).