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BioLiP

PDB CCD ID: 78C
Number of entries in BioLiP: 1
Chemical formula: C15 H17 N O3
InChI: InChI=1S/C15H17NO3/c17-14-10-13(11-6-2-1-3-7-11)16(14)15(18)19-12-8-4-5-9-12/h1-3,6-7,12-13H,4-5,8-10H2/t13-/m0/s1
InChIKey: HXGULOODWVYRBT-ZDUSSCGKSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.9.2c1ccc(cc1)C2CC(=O)N2C(=O)OC3CCCC3
OpenEye OEToolkits 1.9.2c1ccc(cc1)[C@@H]2CC(=O)N2C(=O)OC3CCCC3
CACTVS 3.385O=C1C[CH](N1C(=O)OC2CCCC2)c3ccccc3
CACTVS 3.385O=C1C[C@H](N1C(=O)OC2CCCC2)c3ccccc3
ACDLabs 12.01O=C(OC1CCCC1)N3C(=O)CC3c2ccccc2
Name:CYCLOPENTYL 2-OXO-4-PHENYLAZETIDINE-1-CARBOXYLATE
ZINC: ZINC000095920827
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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