(E)-octadecyl-4-(((R)-2-((1S,3S,5S)-3-cyano-2-azabicyclo[3.1.0]hexan-2-yl)-1-((1r,3S,5R,7S)-3-hydroxyadamantan-1-yl)-2-oxoethyl)amino)-4-oxobut-2-enoate

Analyte Name

(E)-octadecyl-4-(((R)-2-((1S,3S,5S)-3-cyano-2-azabicyclo[3.1.0]hexan-2-yl)-1-((1r,3S,5R,7S)-3-hydroxyadamantan-1-yl)-2-oxoethyl)amino)-4-oxobut-2-enoate

Molecular Formula

C40 H63 N3 O5

Molecular Weight

665.945

Accurate Mass

665.477

SMILES

CCCCCCCCCCCCCCCCCCOC(=O)\C=C\C(=O)N[C@@H](C(=O)N1[C@@H](C[C@@H]2C[C@H]12)C#N)[C@@]34C[C@@H]5C[C@@H](C[C@@](O)(C5)C3)C4

InChI

InChI=1S/C40H63N3O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-48-36(45)19-18-35(44)42-37(38(46)43-33(28-41)22-32-23-34(32)43)39-24-30-21-31(25-39)27-40(47,26-30)29-39/h18-19,30-34,37,47H,2-17,20-27,29H2,1H3,(H,42,44)/b19-18+/t30-,31+,32-,33+,34+,37+,39+,40-/m1/s1

IUPAC

octadecyl (E)-4-[[(1R)-2-[(1S,3S,5S)-3-cyano-2-azabicyclo[3.1.0]hexan-2-yl]-1-[(5R,7S)-3-hydroxy-1-adamantyl]-2-oxoethyl]amino]-4-oxobut-2-enoate

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat