DIOX2_020671
Molecular Formula:
C39H43N3O7S
InChI: InChI=1/C39H43N3O7S/c1-26(44)40-20-6-2-3-11-36(45)42-23-31-8-4-5-9-33(31)28-16-18-30(19-17-28)39-48-32(25-50-37-34(38(46)47)10-7-21-41-37)22-35(49-39)29-14-12-27(24-43)13-15-29/h4-5,7-10,12-19,21,32,35,39,43H,2-3,6,11,20,22-25H2,1H3,(H,40,44)(H,42,45)(H,46,47)/t32-,35+,39+/m1/s1/f/h40,42,46H
InChIKey: InChIKey=FDNHMRKIKVGHIL-CYHADZAEDX
SMILES: CC(=O)NCCCCCC(=O)NCC1=CC=CC=C1C2=CC=C(C=C2)C3OC(CC(O3)C4=CC=C(C=C4)CO)CSC5=C(C=CC=N5)C(=O)O
Names:
DIOX2_020671
2-[[(2S,4R,6S)-2-[4-[2-[(6-acetamidohexanoylamino)methyl]phenyl]phenyl]-6-[4-(hydroxymethyl)phenyl]-1,3-dioxan-4-yl]methylsulfanyl]pyridine-3-carboxylic acid
Registries:
PubChem CID 6701777
PubChem ID 11327670
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