SEQ2FUN

BioLiP

PDB CCD ID: 2A0
Number of entries in BioLiP: 0
Chemical formula: C12 H26 N2 O2
InChI: InChI=1S/C12H26N2O2/c1-3-5-7-10(13)9-14-11(12(15)16)8-6-4-2/h10-11,14H,3-9,13H2,1-2H3,(H,15,16)/t10-,11-/m0/s1
InChIKey: POVNVOXMXWRERJ-QWRGUYRKSA-N
SMILES:
SoftwareSMILES
CACTVS 3.370CCCC[C@H](N)CN[C@@H](CCCC)C(O)=O
OpenEye OEToolkits 1.7.0CCCC[C@@H](CN[C@@H](CCCC)C(=O)O)N
OpenEye OEToolkits 1.7.0CCCCC(CNC(CCCC)C(=O)O)N
CACTVS 3.370CCCC[CH](N)CN[CH](CCCC)C(O)=O
ACDLabs 12.01O=C(O)C(NCC(N)CCCC)CCCC
Name:N-[(2S)-2-aminohexyl]-L-norleucine
ZINC: ZINC000098208118
Reference:
  • Chengxin Zhang, Xi Zhang, Lydia 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).