Analyte Name

(R)-2-((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)succinic Acid

Molecular Formula

C22 H28 N2 O6

Molecular Weight

416.467

Accurate Mass

416.195

SMILES

OC(=O)C[C@H]([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)C(=O)O

InChI

InChI=1S/C22H28N2O6/c1-23-16-4-13-3-15(13)24(16)19(27)18(14(20(28)29)5-17(25)26)21-6-11-2-12(7-21)9-22(30,8-11)10-21/h11-16,18,30H,2-10H2,(H,25,26)(H,28,29)/t11-,12+,13-,14+,15-,16-,18+,21+,22-/m0/s1

IUPAC

(2R)-2-[(1S)-1-[(5S,7R)-3-hydroxy-1-adamantyl]-2-[(1S,3R,5S)-3-isocyano-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]butanedioic acid

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat