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BioLiP Library

PDB CCD ID: AR5
Number of entries in BioLiP: 4
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:
SoftwareSMILES
OpenEye OEToolkits 2.0.4[H]/N=C(/N)\NCCC[C@@H](C(=O)O)NC(=O)OC(C)(C)C
CACTVS 3.385CC(C)(C)OC(=O)N[CH](CCCNC(N)=N)C(O)=O
OpenEye OEToolkits 2.0.4CC(C)(C)OC(=O)NC(CCCNC(=N)N)C(=O)O
CACTVS 3.385CC(C)(C)OC(=O)N[C@@H](CCCNC(N)=N)C(O)=O
ACDLabs 12.01O=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, Peter L Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023)(download the PDF file).
  • 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).

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