M1

Chemical Formula:

C₂₅H₂₉N₄O₆

Molecular Weight:

481.527 Daltons

Monoisotopic Mass:

481.2087096843 Daltons

SMILES:

COC1(=CC=C(C=C1)C5(=NN=C(C(N4(CC(OC3(C=CC(C[N+]2(CC(CO)(CO)C2))=CC=3))C4))=O)O5))

InChI:

1S/C25H28N4O6/c1-33-19-8-4-18(5-9-19)22-26-27-23(35-22)24(32)29-11-21(12-29)34-20-6-2-17(3-7-20)10-28-13-25(14-28,15-30)16-31/h2-9,21,30-31H,10-16H2,1H3/p+1

InChIKey:

OTFLAJNTHVWZOG-UHFFFAOYSA-O

Synonyms

[3-(hydroxymethyl)-1-{[4-({1-[5-(4-methoxyphenyl)-1,3,4-oxadiazole-2-carbonyl]azetidin-3-yl}oxy)phenyl]methyl}azetidin-3-yl]methanol

Databases

MetaCyc: CPD-20319

PubChem (CID): 131801215 134820029

ChEBI: 139019