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BioLiP

PDB CCD ID: I0X
Number of entries in BioLiP: 1
Chemical formula: C31 H34 N4 O5
InChI: InChI=1S/C31H34N4O5/c1-31(2,3)40-25-16-14-23(15-17-25)18-26(28(36)20-33-32)34-29(37)27(19-22-10-6-4-7-11-22)35-30(38)39-21-24-12-8-5-9-13-24/h4-17,20,26-27H,18-19,21H2,1-3H3,(H,34,37)(H,35,38)/t26-,27-/m0/s1
InChIKey: CGONKNHDBTYOOC-SVBPBHIXSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CC(C)(C)Oc1ccc(C[CH](NC(=O)[CH](Cc2ccccc2)NC(=O)OCc3ccccc3)C(=O)C=[N+]=[N-])cc1
ACDLabs 12.01O=C(OCc1ccccc1)NC(C(=O)NC(C(=O)\\C=[N+]=[N-])Cc2ccc(OC(C)(C)C)cc2)Cc3ccccc3
OpenEye OEToolkits 1.7.5CC(C)(C)Oc1ccc(cc1)CC(C(=O)C=[N+]=[N-])NC(=O)C(Cc2ccccc2)NC(=O)OCc3ccccc3
OpenEye OEToolkits 1.7.5CC(C)(C)Oc1ccc(cc1)C[C@@H](C(=O)C=[N+]=[N-])NC(=O)[C@H](Cc2ccccc2)NC(=O)OCc3ccccc3
CACTVS 3.385CC(C)(C)Oc1ccc(C[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)OCc3ccccc3)C(=O)C=[N+]=[N-])cc1
Name:Nalpha-[(benzyloxy)carbonyl]-N-[(1S)-1-(4-tert-butoxybenzyl)-3-diazo-2-oxopropyl]-L-phenylalaninamide;
Z-Phe-Tyr(t-Bu)-diazomethylketone
ZINC: ZINC000058632829
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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