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BioLiP

PDB CCD ID: DI6
Number of entries in BioLiP: 1
Chemical formula: C6 H8 N2 O4
InChI: InChI=1S/C6H8N2O4/c9-4(10)2-1-3-5(11)8-6(12)7-3/h3H,1-2H2,(H,9,10)(H2,7,8,11,12)/t3-/m0/s1
InChIKey: VWFWNXQAMGDPGG-VKHMYHEASA-N
SMILES:
SoftwareSMILES
CACTVS 3.341OC(=O)CC[CH]1NC(=O)NC1=O
CACTVS 3.341OC(=O)CC[C@@H]1NC(=O)NC1=O
ACDLabs 10.04O=C1NC(C(=O)N1)CCC(=O)O
OpenEye OEToolkits 1.5.0C(CC(=O)O)[C@H]1C(=O)NC(=O)N1
OpenEye OEToolkits 1.5.0C(CC(=O)O)C1C(=O)NC(=O)N1
Name:3-[(4S)-2,5-DIOXOIMIDAZOLIDIN-4-YL]PROPANOIC ACID
ZINC: ZINC000000112609
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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