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BioLiP

PDB CCD ID: NLB
Number of entries in BioLiP: 0
Chemical formula: C13 H19 N O3
InChI: InChI=1S/C13H19NO3/c14-12(13(15)16)8-4-5-9-17-10-11-6-2-1-3-7-11/h1-3,6-7,12H,4-5,8-10,14H2,(H,15,16)/t12-/m0/s1
InChIKey: RPGCAWCHHYWJIF-LBPRGKRZSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.9.2c1ccc(cc1)COCCCC[C@@H](C(=O)O)N
OpenEye OEToolkits 1.9.2c1ccc(cc1)COCCCCC(C(=O)O)N
CACTVS 3.385N[CH](CCCCOCc1ccccc1)C(O)=O
ACDLabs 12.01O=C(O)C(N)CCCCOCc1ccccc1
CACTVS 3.385N[C@@H](CCCCOCc1ccccc1)C(O)=O
Name:6-(benzyloxy)-L-norleucine
ZINC: ZINC000002509856
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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