BioLiP

PDB

BioLiP

PDB CCD ID:

AR5

Number of entries in BioLiP:

Chemical formula:

C11 H22 N4 O4

InChI:

InChI=1S/C11H22N4O4/c1-11(2,3)19-10(18)15-7(8(16)17)5-4-6-14-9(12)13/h7H,4-6H2,1-3H3,(H,15,18)(H,16,17)(H4,12,13,14)/t7-/m0/s1

InChIKey:

HSQIYOPBCOPMSS-ZETCQYMHSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.4	[H]/N=C(/N)\NCCC[C@@H](C(=O)O)NC(=O)OC(C)(C)C
CACTVS 3.385	CC(C)(C)OC(=O)N[CH](CCCNC(N)=N)C(O)=O
OpenEye OEToolkits 2.0.4	CC(C)(C)OC(=O)NC(CCCNC(=N)N)C(=O)O
CACTVS 3.385	CC(C)(C)OC(=O)N[C@@H](CCCNC(N)=N)C(O)=O
ACDLabs 12.01	O=C(NC(CCCN\C(=N)N)C(=O)O)OC(C)(C)C

Name:

N~2~-(tert-butoxycarbonyl)-L-arginine

ChEMBL:

CHEMBL1229088

ZINC:

ZINC000001576309

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).