SEQ2FUN

BioLiP

PDB CCD ID: A1CD7
Number of entries in BioLiP: 5
Chemical formula: C24 H30 N2 O7
InChI: InChI=1S/C24H30N2O7/c1-32-21-11-10-17(14-20(21)27)9-6-12-25-18(15-22(28)29)23(30)26-19(24(31)33-2)13-16-7-4-3-5-8-16/h3-5,7-8,10-11,14,18-19,25,27H,6,9,12-13,15H2,1-2H3,(H,26,30)(H,28,29)/t18-,19-/m0/s1
InChIKey: YTKBWWKAVMSYHE-OALUTQOASA-N
SMILES:
SoftwareSMILES
ACDLabs 14.52Oc1cc(ccc1OC)CCCNC(CC(=O)O)C(=O)NC(Cc1ccccc1)C(=O)OC
CACTVS 3.385COC(=O)[CH](Cc1ccccc1)NC(=O)[CH](CC(O)=O)NCCCc2ccc(OC)c(O)c2
CACTVS 3.385COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(O)=O)NCCCc2ccc(OC)c(O)c2
OpenEye OEToolkits 3.1.0.0COc1ccc(cc1O)CCCNC(CC(=O)O)C(=O)NC(Cc2ccccc2)C(=O)OC
OpenEye OEToolkits 3.1.0.0COc1ccc(cc1O)CCCN[C@@H](CC(=O)O)C(=O)N[C@@H](Cc2ccccc2)C(=O)OC
Name:advantame;
methyl N-[3-(3-hydroxy-4-methoxyphenyl)propyl]-L-alpha-aspartyl-L-phenylalaninate
Reference:
  • Chengxin Zhang, Xi Zhang, Lydia 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).