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BioLiP

PDB CCD ID: R33
Number of entries in BioLiP: 6
Chemical formula: C9 H19 N5 O2
InChI: InChI=1S/C9H19N5O2/c1-6(15)7(14-8(16)5-10)3-2-4-13-9(11)12/h7H,2-5,10H2,1H3,(H,14,16)(H4,11,12,13)/t7-/m0/s1
InChIKey: CAKKYWQZWULXCC-ZETCQYMHSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6[H]/N=C(\N)/NCCC[C@@H](C(=O)C)NC(=O)CN
CACTVS 3.385CC(=O)[CH](CCCNC(N)=N)NC(=O)CN
CACTVS 3.385CC(=O)[C@H](CCCNC(N)=N)NC(=O)CN
OpenEye OEToolkits 2.0.6CC(=O)C(CCCNC(=N)N)NC(=O)CN
ACDLabs 12.01C(=O)(C)C(CCCN/C(N)=N)NC(=O)CN
Name:N-[(3S)-6-carbamimidamido-2-oxohexan-3-yl]glycinamide
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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