(2S,3aS,7aS)-1-((2S,3aS,7aS)-1-((S)-2-(((S)-1-Ethoxy-1-oxopentan-2-yl)amino)propanoyl)octahydro-1H-indole-2-carbonyl)octahydro-1H-indole-2-carboxylic Acid
Product Code
TRC-E892490-250MG
Product Format
Neat
Molecular Formula
C28H45N3O6
Molecular Weight
519.67
Product Categories
Product Information
Chemical Data
Analyte Name
(2S,3aS,7aS)-1-((2S,3aS,7aS)-1-((S)-2-(((S)-1-Ethoxy-1-oxopentan-2-yl)amino)propanoyl)octahydro-1H-indole-2-carbonyl)octahydro-1H-indole-2-carboxylic Acid
Molecular Formula
C28H45N3O6
Molecular Weight
519.67
Accurate Mass
519.33
SMILES
OC([C@@H]1C[C@@]2([H])[C@@]([H])(N1C([C@H]3N(C([C@@H](N[C@H](C(OCC)=O)CCC)C)=O)[C@@]4([H])CCCC[C@@]4([H])C3)=O)CCCC2)=O
InChI
InChI=1S/C28H45N3O6/c1-4-10-20(28(36)37-5-2)29-17(3)25(32)30-21-13-8-6-11-18(21)15-23(30)26(33)31-22-14-9-7-12-19(22)16-24(31)27(34)35/h17-24,29H,4-16H2,1-3H3,(H,34,35)/t17-,18-,19-,20-,21-,22-,23-,24-/m0/s1
IUPAC
(2S,3aS,7aS)-1-((2S,3aS,7aS)-1-(((S)-1-ethoxy-1-oxopentan-2-yl)-L-alanyl)octahydro-1H-indole-2-carbonyl)octahydro-1H-indole-2-carboxylic acid
Product Data
Shipping Temperature
Room Temperature
Country of Origin
CANADA
Product Format
Neat