3-[[2-[4-[4-[4-(hydroxymethyl)phenyl]-5-methyl-6-[[4-(4-nitrophenyl)piperazin-1-yl]methyl]-1,3-dioxan-2-yl]phenyl]phenyl]methylcarbamoyl]propanoic acid
Molecular Formula:
C40H44N4O8
InChI: InChI=1/C40H44N4O8/c1-27-36(25-42-20-22-43(23-21-42)33-14-16-34(17-15-33)44(49)50)51-40(52-39(27)30-8-6-28(26-45)7-9-30)31-12-10-29(11-13-31)35-5-3-2-4-32(35)24-41-37(46)18-19-38(47)48/h2-17,27,36,39-40,45H,18-26H2,1H3,(H,41,46)(H,47,48)/f/h41,47H
InChIKey: InChIKey=NCJHJNLKMHWRFI-ZKOUNZQDCG
SMILES: CC1C(OC(OC1C2=CC=C(C=C2)CO)C3=CC=C(C=C3)C4=CC=CC=C4CNC(=O)CCC(=O)O)CN5CCN(CC5)C6=CC=C(C=C6)[N+](=O)[O-]
Names:
3-[[2-[4-[4-[4-(hydroxymethyl)phenyl]-5-methyl-6-[[4-(4-nitrophenyl)piperazin-1-yl]methyl]-1,3-dioxan-2-yl]phenyl]phenyl]methylcarbamoyl]propanoic acid
Registries:
PubChem CID 4105374
PubChem ID 6029190
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