4-[[6-[4-(hydroxymethyl)phenyl]-5-methyl-2-[3-[[2-[(4-methylphenyl)sulfonylamino]-3-phenyl-propanoyl]amino]phenyl]-1,3-dioxan-4-yl]methylsulfanyl]benzoic acid
Molecular Formula:
C42H42N2O8S2
InChI: InChI=1/C42H42N2O8S2/c1-27-11-21-36(22-12-27)54(49,50)44-37(23-29-7-4-3-5-8-29)40(46)43-34-10-6-9-33(24-34)42-51-38(26-53-35-19-17-32(18-20-35)41(47)48)28(2)39(52-42)31-15-13-30(25-45)14-16-31/h3-22,24,28,37-39,42,44-45H,23,25-26H2,1-2H3,(H,43,46)(H,47,48)/f/h43,47H
InChIKey: InChIKey=UJVPZQZAMKZOPB-GOANIHMKCP
SMILES: CC1C(OC(OC1C2=CC=C(C=C2)CO)C3=CC(=CC=C3)NC(=O)C(CC4=CC=CC=C4)NS(=O)(=O)C5=CC=C(C=C5)C)CSC6=CC=C(C=C6)C(=O)O
Names:
4-[[6-[4-(hydroxymethyl)phenyl]-5-methyl-2-[3-[[2-[(4-methylphenyl)sulfonylamino]-3-phenyl-propanoyl]amino]phenyl]-1,3-dioxan-4-yl]methylsulfanyl]benzoic acid
Registries:
PubChem CID 4119114
PubChem ID 6047760
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