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BioLiP

PDB CCD ID: CMA
Number of entries in BioLiP: 2
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:
SoftwareSMILES
OpenEye OEToolkits 1.5.0C(C[C@@H](C(=O)O)NCCC(=O)O)CNC(=N)N
ACDLabs 10.04O=C(O)CCNC(C(=O)O)CCCNC(=[N@H])N
CACTVS 3.341NC(=N)NCCC[CH](NCCC(O)=O)C(O)=O
CACTVS 3.341NC(=N)NCCC[C@H](NCCC(O)=O)C(O)=O
OpenEye OEToolkits 1.5.0C(CC(C(=O)O)NCCC(=O)O)CNC(=N)N
Name:N2-(CARBOXYETHYL)-L-ARGININE
DrugBank: DB04189
ZINC: ZINC000001530510
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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