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BioLiP

PDB CCD ID: MY1
Number of entries in BioLiP: 0
Chemical formula: C20 H23 N3 O5
InChI: InChI=1S/C20H23N3O5/c21-23(14-19(26)27)18(25)11-17(24)20(28)22(12-15-7-3-1-4-8-15)13-16-9-5-2-6-10-16/h1-10,17,24H,11-14,21H2,(H,26,27)/t17-/m0/s1
InChIKey: JGMMFVVACJREFE-KRWDZBQOSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341NN(CC(O)=O)C(=O)C[CH](O)C(=O)N(Cc1ccccc1)Cc2ccccc2
OpenEye OEToolkits 1.5.0c1ccc(cc1)CN(Cc2ccccc2)C(=O)[C@H](CC(=O)N(CC(=O)O)N)O
ACDLabs 10.04O=C(O)CN(N)C(=O)CC(O)C(=O)N(Cc1ccccc1)Cc2ccccc2
CACTVS 3.341NN(CC(O)=O)C(=O)C[C@H](O)C(=O)N(Cc1ccccc1)Cc2ccccc2
OpenEye OEToolkits 1.5.0c1ccc(cc1)CN(Cc2ccccc2)C(=O)C(CC(=O)N(CC(=O)O)N)O
Name:[N-(3-DIBENZYLCARBAMOYL-OXIRANECARBONYL)-HYDRAZINO]-ACETIC ACID
DrugBank: DB08229
ZINC: ZINC000053683031
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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