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BioLiP

PDB CCD ID: 73N
Number of entries in BioLiP: 0
Chemical formula: C7 H14 N4 O4
InChI: InChI=1S/C7H14N4O4/c8-6(9)10-3-1-2-4(5(12)13)11-7(14)15/h4,11H,1-3H2,(H,12,13)(H,14,15)(H4,8,9,10)/t4-/m0/s1
InChIKey: YSAVLQWBPUIBPN-BYPYZUCNSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385NC(=N)NCCC[CH](NC(O)=O)C(O)=O
OpenEye OEToolkits 2.0.5[H]/N=C(\N)/NCCC[C@@H](C(=O)O)NC(=O)O
OpenEye OEToolkits 2.0.5C(CC(C(=O)O)NC(=O)O)CNC(=N)N
CACTVS 3.385NC(=N)NCCC[C@H](NC(O)=O)C(O)=O
Name:(2~{S})-5-carbamimidamido-2-(carboxyamino)pentanoic acid
ZINC: ZINC000584905261
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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