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BioLiP

PDB CCD ID: 9VC
Number of entries in BioLiP: 2
Chemical formula: C14 H20 N2 O4
InChI: InChI=1S/C14H20N2O4/c15-12(13(17)18)8-4-5-9-16-14(19)20-10-11-6-2-1-3-7-11/h1-3,6-7,12H,4-5,8-10,15H2,(H,16,19)(H,17,18)/t12-/m0/s1
InChIKey: CKGCFBNYQJDIGS-LBPRGKRZSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6c1ccc(cc1)COC(=O)NCCCCC(C(=O)O)N
OpenEye OEToolkits 2.0.6c1ccc(cc1)COC(=O)NCCCC[C@@H](C(=O)O)N
CACTVS 3.385N[CH](CCCCNC(=O)OCc1ccccc1)C(O)=O
CACTVS 3.385N[C@@H](CCCCNC(=O)OCc1ccccc1)C(O)=O
Name:(2S)-2-azanyl-6-(phenylmethoxycarbonylamino)hexanoic acid
ZINC: ZINC000002049231
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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