(S)-2-((1R,2S,5S)-3-((S)-3,3-Dimethyl-2-(2,2,2-trifluoroacetamido)butanoyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamido)-3-((S)-2-oxopyrrolidin-3-yl)propanoic Acid

Analyte Name

(S)-2-((1R,2S,5S)-3-((S)-3,3-Dimethyl-2-(2,2,2-trifluoroacetamido)butanoyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamido)-3-((S)-2-oxopyrrolidin-3-yl)propanoic Acid

Molecular Formula

C23 H33 F3 N4 O6

Molecular Weight

518.527

Accurate Mass

518.235

SMILES

CC(C)(C)[C@H](NC(=O)C(F)(F)F)C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)N[C@@H](C[C@@H]3CCNC3=O)C(=O)O)C2(C)C

InChI

InChI=1S/C23H33F3N4O6/c1-21(2,3)15(29-20(36)23(24,25)26)18(33)30-9-11-13(22(11,4)5)14(30)17(32)28-12(19(34)35)8-10-6-7-27-16(10)31/h10-15H,6-9H2,1-5H3,(H,27,31)(H,28,32)(H,29,36)(H,34,35)/t10-,11-,12-,13-,14-,15+/m0/s1

IUPAC

(2S)-2-[[(1R,2S,5S)-3-[(2S)-3,3-dimethyl-2-[(2,2,2-trifluoroacetyl)amino]butanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carbonyl]amino]-3-[(3S)-2-oxopyrrolidin-3-yl]propanoic acid

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat