2-[[6-[4-(hydroxymethyl)phenyl]-2-[3-[[2-[3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]ethanethioyl]amino]phenyl]-1,3-dioxan-4-yl]methylsulfanyl]pyridine-3-carboxylic acid
Molecular Formula:
C40H44N2O14S2
InChI: InChI=1/C40H44N2O14S2/c1-21(44)50-19-33-36(52-23(3)46)37(53-24(4)47)35(51-22(2)45)32(55-33)17-34(57)42-28-8-5-7-27(15-28)40-54-29(20-58-38-30(39(48)49)9-6-14-41-38)16-31(56-40)26-12-10-25(18-43)11-13-26/h5-15,29,31-33,35-37,40,43H,16-20H2,1-4H3,(H,42,57)(H,48,49)/f/h42,48H
InChIKey: InChIKey=NBENRIHFJQWZJV-GLGAOPBBCD
SMILES: CC(=O)OCC1C(C(C(C(O1)CC(=S)NC2=CC=CC(=C2)C3OC(CC(O3)C4=CC=C(C=C4)CO)CSC5=C(C=CC=N5)C(=O)O)OC(=O)C)OC(=O)C)OC(=O)C
Names:
2-[[6-[4-(hydroxymethyl)phenyl]-2-[3-[[2-[3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]ethanethioyl]amino]phenyl]-1,3-dioxan-4-yl]methylsulfanyl]pyridine-3-carboxylic acid
Registries:
PubChem CID 4086226
PubChem ID 6003728
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