(E)-4-(((S)-1-((1r,3R,5R,7S)-3-Hydroxyadamantan-1-yl)-2-((1S,3R,5S)-3-isocyano-2-azabicyclo[3.1.0]hexan-2-yl)-2-oxoethyl)amino)-4-oxobut-2-enoic Acid

Analyte Name

(E)-4-(((S)-1-((1r,3R,5R,7S)-3-Hydroxyadamantan-1-yl)-2-((1S,3R,5S)-3-isocyano-2-azabicyclo[3.1.0]hexan-2-yl)-2-oxoethyl)amino)-4-oxobut-2-enoic Acid

Molecular Formula

C22 H27 N3 O5

Molecular Weight

413.467

Accurate Mass

413.195

SMILES

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

InChI

InChI=1S/C22H27N3O5/c1-23-16-6-14-5-15(14)25(16)20(29)19(24-17(26)2-3-18(27)28)21-7-12-4-13(8-21)10-22(30,9-12)11-21/h2-3,12-16,19,30H,4-11H2,(H,24,26)(H,27,28)/b3-2+/t12-,13+,14-,15-,16-,19+,21+,22-/m0/s1

IUPAC

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

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat