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BioLiP

PDB CCD ID: 1QI
Number of entries in BioLiP: 0
Chemical formula: C15 H23 N O3
InChI: InChI=1S/C15H23NO3/c1-10(2)14(16)13(17)9-12(15(18)19)8-11-6-4-3-5-7-11/h3-7,10,12-14,17H,8-9,16H2,1-2H3,(H,18,19)/t12-,13+,14+/m1/s1
InChIKey: NTLNICDVBOLIQC-RDBSUJKOSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7CC(C)C(C(CC(Cc1ccccc1)C(=O)O)O)N
CACTVS 3.385CC(C)[CH](N)[CH](O)C[CH](Cc1ccccc1)C(O)=O
CACTVS 3.385CC(C)[C@H](N)[C@@H](O)C[C@@H](Cc1ccccc1)C(O)=O
OpenEye OEToolkits 2.0.7CC(C)[C@@H]([C@H](C[C@@H](Cc1ccccc1)C(=O)O)O)N
Name:(2R,4S,5S)-5-azanyl-6-methyl-4-oxidanyl-2-(phenylmethyl)heptanoic acid
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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