(2S,3aS,7aS)-1-[(2S)-2-[3-Cyclohexyl-2-thioxo-4-oxo-5-propyl-1-imidazolidinyl]-1-oxopropyl]octahydro-1H-indole-2-carboxylic Acid Benzyl Ester
Product Code
TRC-C988220
Product Format
Neat
Molecular Formula
C31 H43 N3 O4 S
Molecular Weight
553.756
Product Categories
Product Information
Chemical Data
Analyte Name
(2S,3aS,7aS)-1-[(2S)-2-[3-Cyclohexyl-2-thioxo-4-oxo-5-propyl-1-imidazolidinyl]-1-oxopropyl]octahydro-1H-indole-2-carboxylic Acid Benzyl Ester
Molecular Formula
C31 H43 N3 O4 S
Molecular Weight
553.756
Accurate Mass
553.297
SMILES
CCCC1N([C@@H](C)C(=O)N2[C@H]3CCCC[C@H]3C[C@H]2C(=O)OCc4ccccc4)C(=S)N(C5CCCCC5)C1=O
InChI
InChI=1S/C31H43N3O4S/c1-3-12-26-29(36)33(24-16-8-5-9-17-24)31(39)32(26)21(2)28(35)34-25-18-11-10-15-23(25)19-27(34)30(37)38-20-22-13-6-4-7-14-22/h4,6-7,13-14,21,23-27H,3,5,8-12,15-20H2,1-2H3/t21-,23-,25-,26?,27-/m0/s1
IUPAC
benzyl (2S,3aS,7aS)-1-[(2S)-2-(3-cyclohexyl-4-oxo-5-propyl-2-sulfanylideneimidazolidin-1-yl)propanoyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylate
Product Data
Shipping Temperature
Room Temperature
Country of Origin
CANADA
Product Format
Neat