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BioLiP

PDB CCD ID: MY3
Number of entries in BioLiP: 0
Chemical formula: C13 H17 N3 O5
InChI: InChI=1S/C13H17N3O5/c14-16(8-12(19)20)11(18)6-10(17)13(21)15-7-9-4-2-1-3-5-9/h1-5,10,17H,6-8,14H2,(H,15,21)(H,19,20)/t10-/m0/s1
InChIKey: ROPIKOKIAWFVJE-JTQLQIEISA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.2c1ccc(cc1)CNC(=O)C(CC(=O)N(CC(=O)O)N)O
CACTVS 3.370NN(CC(O)=O)C(=O)C[CH](O)C(=O)NCc1ccccc1
OpenEye OEToolkits 1.7.2c1ccc(cc1)CNC(=O)[C@H](CC(=O)N(CC(=O)O)N)O
CACTVS 3.370NN(CC(O)=O)C(=O)C[C@H](O)C(=O)NCc1ccccc1
ACDLabs 12.01O=C(O)CN(N)C(=O)CC(O)C(=O)NCc1ccccc1
Name:[N-(3-BENZYLCARBAMOYL-OXIRANECARBONYL)-HYDRAZINO] - ACETIC ACID
ZINC: ZINC000058649538
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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