DIOX2_008865
Molecular Formula:
C35H31N3O6S
InChI: InChI=1/C35H31N3O6S/c1-21-30(20-45-31-12-5-2-9-26(31)34(41)42)43-35(44-32(21)23-15-13-22(19-39)14-16-23)24-7-6-8-25(17-24)37-33(40)29-18-36-27-10-3-4-11-28(27)38-29/h2-18,21,30,32,35,39H,19-20H2,1H3,(H,37,40)(H,41,42)/t21-,30+,32+,35+/m1/s1/f/h37,41H
InChIKey: InChIKey=DZGKNZVCERGPRN-YUGKZAAODC
SMILES: CC1C(OC(OC1C2=CC=C(C=C2)CO)C3=CC(=CC=C3)NC(=O)C4=NC5=CC=CC=C5N=C4)CSC6=CC=CC=C6C(=O)O
Names:
DIOX2_008865
2-[[(2S,4S,5S,6S)-6-[4-(hydroxymethyl)phenyl]-5-methyl-2-[3-(quinoxaline-2-carbonylamino)phenyl]-1,3-dioxan-4-yl]methylsulfanyl]benzoic acid
Registries:
PubChem CID 6690378
PubChem ID 11315864
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