Analyte Name

prop-2-enyl (Z)-2-(((1R)-2,2-dimethylcyclopropanecarbonyl)amino)-7-((2S)-3-oxo-2-(4-oxopentan-2-ylamino)-3-prop-2-enoxypropyl)sulfanylhept-2-enoate

Molecular Formula

C27H42N2O6S

Molecular Weight

522.7

Accurate Mass

522.28

SMILES

O=C(OCC=C)/C(NC([C@@H]1CC1(C)C)=O)=C/CCCCSC[C@@H](NC(CC(C)=O)C)C(OCC=C)=O

InChI

InChI=1S/C27H42N2O6S/c1-7-13-34-25(32)22(29-24(31)21-17-27(21,5)6)12-10-9-11-15-36-18-23(26(33)35-14-8-2)28-19(3)16-20(4)30/h7-8,12,19,21,23,28H,1-2,9-11,13-18H2,3-6H3,(H,29,31)/b22-12-/t19?,21-,23+/m0/s1

IUPAC

allyl (Z)-7-(((2S)-3-(allyloxy)-3-oxo-2-((4-oxopentan-2-yl)amino)propyl)thio)-2-((R)-2,2-dimethylcyclopropane-1-carboxamido)hept-2-enoate

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat