BioLiP

PDB

BioLiP

PDB CCD ID:

A1D5E

Number of entries in BioLiP:

Chemical formula:

C8 H15 N3 O4

InChI:

InChI=1S/C8H15N3O4/c9-1-2-10-8(14)15-5-3-6(7(12)13)11-4-5/h5-6,11H,1-4,9H2,(H,10,14)(H,12,13)/t5-,6+/m1/s1

InChIKey:

JPXWXGCURGFPEP-RITPCOANSA-N

SMILES:

Software	SMILES
CACTVS 3.385	NCCNC(=O)O[CH]1CN[CH](C1)C(O)=O
CACTVS 3.385	NCCNC(=O)O[C@H]1CN[C@@H](C1)C(O)=O
OpenEye OEToolkits 2.0.7	C1C(CNC1C(=O)O)OC(=O)NCCN
OpenEye OEToolkits 2.0.7	C1[C@H](CN[C@@H]1C(=O)O)OC(=O)NCCN

Name:

(2~{S},4~{R})-4-(2-azanylethylcarbamoyloxy)pyrrolidine-2-carboxylic acid;
4-((((2-AMINOETHYL)AMINO)CARBONYL)OXY)-L-PROLINE, (4R)-

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).