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BioLiP

PDB CCD ID: Y57
Number of entries in BioLiP: 0
Chemical formula: C17 H28 N2 O2
InChI: InChI=1S/C17H28N2O2/c1-14(2)19(12-7-6-10-16(18)17(20)21)13-11-15-8-4-3-5-9-15/h3-5,8-9,14,16H,6-7,10-13,18H2,1-2H3,(H,20,21)/t16-/m0/s1
InChIKey: XGCVHMMQJAIVRH-INIZCTEOSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CC(C)N(CCCC[C@H](N)C(O)=O)CCc1ccccc1
OpenEye OEToolkits 2.0.7CC(C)N(CCCC[C@@H](C(=O)O)N)CCc1ccccc1
ACDLabs 12.01C(C)(C)N(CCCCC(N)C(=O)O)CCc1ccccc1
OpenEye OEToolkits 2.0.7CC(C)N(CCCCC(C(=O)O)N)CCc1ccccc1
CACTVS 3.385CC(C)N(CCCC[CH](N)C(O)=O)CCc1ccccc1
Name:N~6~-(2-phenylethyl)-N~6~-propan-2-yl-L-lysine
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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