BioLiP

PDB

BioLiP

PDB CCD ID:

CMA

Number of entries in BioLiP:

Chemical formula:

C9 H18 N4 O4

InChI:

InChI=1S/C9H18N4O4/c10-9(11)13-4-1-2-6(8(16)17)12-5-3-7(14)15/h6,12H,1-5H2,(H,14,15)(H,16,17)(H4,10,11,13)/t6-/m0/s1

InChIKey:

OHWCFZJEIHZWMN-LURJTMIESA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	C(C[C@@H](C(=O)O)NCCC(=O)O)CNC(=N)N
ACDLabs 10.04	O=C(O)CCNC(C(=O)O)CCCNC(=[N@H])N
CACTVS 3.341	NC(=N)NCCC[CH](NCCC(O)=O)C(O)=O
CACTVS 3.341	NC(=N)NCCC[C@H](NCCC(O)=O)C(O)=O
OpenEye OEToolkits 1.5.0	C(CC(C(=O)O)NCCC(=O)O)CNC(=N)N

Name:

N2-(CARBOXYETHYL)-L-ARGININE

DrugBank:

DB04189

ZINC:

ZINC000001530510

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).