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BioLiP

PDB CCD ID: GWO
Number of entries in BioLiP: 0
Chemical formula: C19 H23 N O3
InChI: InChI=1S/C19H23NO3/c20-17(12-15-9-5-2-6-10-15)18(21)13-16(19(22)23)11-14-7-3-1-4-8-14/h1-10,16-18,21H,11-13,20H2,(H,22,23)/t16-,17+,18-/m1/s1
InChIKey: FXTZKZFWIYSHRP-FGTMMUONSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1ccc(cc1)CC(CC(C(Cc2ccccc2)N)O)C(=O)O
CACTVS 3.385N[C@@H](Cc1ccccc1)[C@H](O)C[C@@H](Cc2ccccc2)C(O)=O
CACTVS 3.385N[CH](Cc1ccccc1)[CH](O)C[CH](Cc2ccccc2)C(O)=O
OpenEye OEToolkits 2.0.7c1ccc(cc1)C[C@H](C[C@H]([C@H](Cc2ccccc2)N)O)C(=O)O
Name:(2R,4R,5S)-5-azanyl-4-oxidanyl-6-phenyl-2-(phenylmethyl)hexanoic 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)(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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