DIOX2_003562
Molecular Formula:
C45H50N6O6
InChI: InChI=1/C45H50N6O6/c1-31-40(29-50-21-23-51(24-22-50)44-46-19-8-20-47-44)56-43(57-41(31)35-17-15-33(30-52)16-18-35)38-14-7-13-37(27-38)36-12-6-11-34(25-36)28-48-45(54)49-39(42(53)55-2)26-32-9-4-3-5-10-32/h3-20,25,27,31,39-41,43,52H,21-24,26,28-30H2,1-2H3,(H2,48,49,54)/t31-,39-,40+,41+,43+/m0/s1/f/h48-49H
InChIKey: InChIKey=QDKJQOSUGOECEI-GWUSCJBUDE
SMILES: CC1C(OC(OC1C2=CC=C(C=C2)CO)C3=CC=CC(=C3)C4=CC(=CC=C4)CNC(=O)NC(CC5=CC=CC=C5)C(=O)OC)CN6CCN(CC6)C7=NC=CC=N7
Names:
DIOX2_003562
methyl (2S)-2-[[3-[3-[(2R,4R,5R,6R)-4-[4-(hydroxymethyl)phenyl]-5-methyl-6-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,3-dioxan-2-yl]phenyl]phenyl]methylcarbamoylamino]-3-phenyl-propanoate
Registries:
PubChem CID 6685079
PubChem ID 11310561
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