2-[[6-[4-(hydroxymethyl)phenyl]-2-[3-[[2-[(4-methylphenyl)sulfonylamino]-3-phenyl-propanoyl]amino]phenyl]-1,3-dioxan-4-yl]methylsulfanyl]pyridine-3-carboxylic acid
Molecular Formula:
C40H39N3O8S2
InChI: InChI=1/C40H39N3O8S2/c1-26-12-18-33(19-13-26)53(48,49)43-35(21-27-7-3-2-4-8-27)37(45)42-31-10-5-9-30(22-31)40-50-32(25-52-38-34(39(46)47)11-6-20-41-38)23-36(51-40)29-16-14-28(24-44)15-17-29/h2-20,22,32,35-36,40,43-44H,21,23-25H2,1H3,(H,42,45)(H,46,47)/f/h42,46H
InChIKey: InChIKey=DPJGXLXMMCRSNT-UNQFHFHNCO
SMILES: CC1=CC=C(C=C1)S(=O)(=O)NC(CC2=CC=CC=C2)C(=O)NC3=CC=CC(=C3)C4OC(CC(O4)C5=CC=C(C=C5)CO)CSC6=C(C=CC=N6)C(=O)O
Names:
2-[[6-[4-(hydroxymethyl)phenyl]-2-[3-[[2-[(4-methylphenyl)sulfonylamino]-3-phenyl-propanoyl]amino]phenyl]-1,3-dioxan-4-yl]methylsulfanyl]pyridine-3-carboxylic acid
Registries:
PubChem CID 4086225
PubChem ID 6003727
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