Analyte Name

(1S,3S,5S)-2-((R)-2-((1r,3S,5R,7S)-3-hydroxyadamantan-1-yl)-2-((E)-(2-(5-(hydroxymethyl)furan-2-yl)ethylidene)amino)acetyl)-2-azabicyclo[3.1.0]hexane-3-carbonitrile

Molecular Formula

C25 H31 N3 O4

Molecular Weight

437.531

Accurate Mass

437.231

SMILES

OCc1oc(C\C=N\[C@@H](C(=O)N2[C@@H](C[C@@H]3C[C@H]23)C#N)[C@@]45C[C@@H]6C[C@@H](C[C@@](O)(C6)C4)C5)cc1

InChI

InChI=1S/C25H31N3O4/c26-12-18-6-17-7-21(17)28(18)23(30)22(27-4-3-19-1-2-20(13-29)32-19)24-8-15-5-16(9-24)11-25(31,10-15)14-24/h1-2,4,15-18,21-22,29,31H,3,5-11,13-14H2/b27-4+/t15-,16+,17-,18+,21+,22+,24+,25-/m1/s1

IUPAC

(1S,3S,5S)-2-[(2R)-2-[(5R,7S)-3-hydroxy-1-adamantyl]-2-[(E)-2-[5-(hydroxymethyl)furan-2-yl]ethylideneamino]acetyl]-2-azabicyclo[3.1.0]hexane-3-carbonitrile

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat