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BioLiP

PDB CCD ID: FBO
Number of entries in BioLiP: 1
Chemical formula: C23 H30 N4 O5
InChI: InChI=1S/C23H30N4O5/c24-19(15-17-9-3-1-4-10-17)21(28)26-20(22(29)27-31)13-7-8-14-25-23(30)32-16-18-11-5-2-6-12-18/h1-6,9-12,19-20,31H,7-8,13-16,24H2,(H,25,30)(H,26,28)(H,27,29)/t19-,20-/m0/s1
InChIKey: YGHNIVJEKSKDJB-PMACEKPBSA-N
SMILES:
SoftwareSMILES
CACTVS 3.370N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCNC(=O)OCc2ccccc2)C(=O)NO
ACDLabs 12.01O=C(NO)C(NC(=O)C(N)Cc1ccccc1)CCCCNC(=O)OCc2ccccc2
OpenEye OEToolkits 1.7.0c1ccc(cc1)C[C@@H](C(=O)N[C@@H](CCCCNC(=O)OCc2ccccc2)C(=O)NO)N
CACTVS 3.370N[CH](Cc1ccccc1)C(=O)N[CH](CCCCNC(=O)OCc2ccccc2)C(=O)NO
OpenEye OEToolkits 1.7.0c1ccc(cc1)CC(C(=O)NC(CCCCNC(=O)OCc2ccccc2)C(=O)NO)N
Name:L-phenylalanyl-N6-[(benzyloxy)carbonyl]-N1-hydroxy-L-lysinamide
ZINC: ZINC000071318285
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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