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BioLiP

PDB CCD ID: JWL
Number of entries in BioLiP: 1
Chemical formula: C19 H27 N5 O4
InChI: InChI=1S/C19H27N5O4/c1-14(26)17(13-25)23-19(28)16(12-15-8-4-2-5-9-15)22-18(27)10-6-3-7-11-21-24-20/h2,4-5,8-9,13-14,16-17,26H,3,6-7,10-12H2,1H3,(H,22,27)(H,23,28)/t14-,16-,17-/m1/s1
InChIKey: JYMVTDPABCQINZ-DJIMGWMZSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7C[C@H]([C@@H](C=O)NC(=O)[C@@H](Cc1ccccc1)NC(=O)CCCCCN=[N+]=[N-])O
CACTVS 3.385C[CH](O)[CH](NC(=O)[CH](Cc1ccccc1)NC(=O)CCCCCN=[N+]=[N-])C=O
OpenEye OEToolkits 2.0.7CC(C(C=O)NC(=O)C(Cc1ccccc1)NC(=O)CCCCCN=[N+]=[N-])O
CACTVS 3.385C[C@@H](O)[C@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)CCCCCN=[N+]=[N-])C=O
Name:6-azido-N-[(2R)-1-oxidanylidene-1-[[(2S,3R)-3-oxidanyl-1-oxidanylidene-butan-2-yl]amino]-3-phenyl-propan-2-yl]hexanamide;
Beta-lactone antibacterial agent (open form)
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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