DIOX-H_005530
Molecular Formula:
C42H55N3O6
InChI: InChI=1/C42H55N3O6/c46-30-31-15-17-33(18-16-31)39-26-37(29-45-25-9-11-36(45)28-44-23-7-8-24-44)50-42(51-39)34-21-19-32(20-22-34)38-12-6-5-10-35(38)27-43-40(47)13-3-1-2-4-14-41(48)49/h5-6,10,12,15-22,36-37,39,42,46H,1-4,7-9,11,13-14,23-30H2,(H,43,47)(H,48,49)/t36-,37-,39+,42+/m0/s1/f/h43,48H
InChIKey: InChIKey=HKBPBIYIMGYZCN-XRYYAIAUDY
SMILES: C1CCN(C1)CC2CCCN2CC3CC(OC(O3)C4=CC=C(C=C4)C5=CC=CC=C5CNC(=O)CCCCCCC(=O)O)C6=CC=C(C=C6)CO
Names:
DIOX-H_005530
7-[[2-[4-[(2R,4R,6S)-4-[4-(hydroxymethyl)phenyl]-6-[[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methyl]-1,3-dioxan-2-yl]phenyl]phenyl]methylcarbamoyl]heptanoic acid
Registries:
PubChem CID 6677783
PubChem ID 11303259
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