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BioLiP

PDB CCD ID: R40
Number of entries in BioLiP: 2
Chemical formula: C14 H20 N4 O4
InChI: InChI=1S/C14H20N4O4/c15-13(16)17-8-4-7-11(12(19)20)18-14(21)22-9-10-5-2-1-3-6-10/h1-3,5-6,11H,4,7-9H2,(H,18,21)(H,19,20)(H4,15,16,17)/t11-/m0/s1
InChIKey: SJSSFUMSAFMFNM-NSHDSACASA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.4c1ccc(cc1)COC(=O)NC(CCCNC(=N)N)C(=O)O
OpenEye OEToolkits 2.0.4[H]/N=C(\N)/NCCC[C@@H](C(=O)O)NC(=O)OCc1ccccc1
CACTVS 3.385NC(=N)NCCC[CH](NC(=O)OCc1ccccc1)C(O)=O
ACDLabs 12.01N=C(/NCCCC(NC(=O)OCc1ccccc1)C(=O)O)N
CACTVS 3.385NC(=N)NCCC[C@H](NC(=O)OCc1ccccc1)C(O)=O
Name:N~2~-[(benzyloxy)carbonyl]-L-arginine
ChEMBL: CHEMBL1423296
ZINC: ZINC000001540612
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).
  • 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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