DIOX2_010568
Molecular Formula:
C53H57N3O8S
InChI: InChI=1/C53H57N3O8S/c1-35-16-22-46(23-17-35)65(59,60)55-47(27-37-10-6-5-7-11-37)52(58)54-31-39-12-8-13-41(26-39)42-14-9-15-44(28-42)53-63-50(36(2)51(64-53)40-20-18-38(34-57)19-21-40)33-56-25-24-43-29-48(61-3)49(62-4)30-45(43)32-56/h5-23,26,28-30,36,47,50-51,53,55,57H,24-25,27,31-34H2,1-4H3,(H,54,58)/t36-,47-,50+,51+,53+/m1/s1/f/h54H
InChIKey: InChIKey=XFAGJKYOTLBWGR-PSEAFZHMDT
SMILES: CC1C(OC(OC1C2=CC=C(C=C2)CO)C3=CC=CC(=C3)C4=CC(=CC=C4)CNC(=O)C(CC5=CC=CC=C5)NS(=O)(=O)C6=CC=C(C=C6)C)CN7CCC8=CC(=C(C=C8C7)OC)OC
Names:
DIOX2_010568
(2R)-N-[[3-[3-[(2S,4S,5S,6S)-4-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-6-[4-(hydroxymethyl)phenyl]-5-methyl-1,3-dioxan-2-yl]phenyl]phenyl]methyl]-2-[(4-methylphenyl)sulfonylamino]-3-phenyl-propanamide
Registries:
PubChem CID 6692080
PubChem ID 11317567
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