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BioLiP Library

PDB CCD ID: KR3
Number of entries in BioLiP: 0
Chemical formula: C9 H18 N2 O4
InChI: InChI=1S/C9H18N2O4/c1-2-15-9(14)11-6-4-3-5-7(10)8(12)13/h7H,2-6,10H2,1H3,(H,11,14)(H,12,13)/t7-/m0/s1
InChIKey: XMVZHEKLZHYPQS-ZETCQYMHSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CCOC(=O)NCCCC[C@H](N)C(O)=O
ACDLabs 12.01O=C(NCCCCC(N)C(=O)O)OCC
CACTVS 3.385CCOC(=O)NCCCC[CH](N)C(O)=O
OpenEye OEToolkits 2.0.7CCOC(=O)NCCCC[C@@H](C(=O)O)N
OpenEye OEToolkits 2.0.7CCOC(=O)NCCCCC(C(=O)O)N
Name:N~6~-(ethoxycarbonyl)-L-lysine
ZINC: ZINC000002041390
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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