((4S)-4-Cyclohexyl-1-[(R)-[(S)-1-hydroxy-2-methylpropoxy](4-phenylbutyl)phosphinyl]acetyl-D-proline Propionate (Ester) Hemibarium Salt Sesquihydrate)
Product Code
TRC-C989195-100MG
Product Format
Neat
Molecular Formula
C30H46NO7P . 0.5[Ba] . 1.5[H2O]
Molecular Weight
658.64
Product Categories
Alternate CAS Number
Product Information
Product Data
Analyte Name
((4S)-4-Cyclohexyl-1-[(R)-[(S)-1-hydroxy-2-methylpropoxy](4-phenylbutyl)phosphinyl]acetyl-D-proline Propionate (Ester) Hemibarium Salt Sesquihydrate)
Molecular Formula
C30H46NO7P . 0.5[Ba] . 1.5[H2O]
Molecular Weight
658.64
Accurate Mass
657.97
SMILES
O=C([O-])[C@@H](C[C@@H](C1CCCCC1)C2)N2C(CP(CCCCC3=CC=CC=C3)(O[C@H](OC(CC)=O)C(C)C)=O)=O.O=C([O-])[C@@H](C[C@@H](C1CCCCC1)C2)N2C(CP(CCCCC3=CC=CC=C3)(O[C@H](OC(CC)=O)C(C)C)=O)=O.O.O.O.[Ba+2]
InChI
InChI=1S/C30H46NO7P.H2O/c1-4-28(33)37-30(22(2)3)38-39(36,18-12-11-15-23-13-7-5-8-14-23)21-27(32)31-20-25(19-26(31)29(34)35)24-16-9-6-10-17-24;/h5,7-8,13-14,22,24-26,30H,4,6,9-12,15-21H2,1-3H3,(H,34,35);1H2/p-1/t25-,26-,30+,39-;/m1./s1
IUPAC
(2R,4S)-4-cyclohexyl-1-(2-(((S)-2-methyl-1-(propionyloxy)propoxy)(4-phenylbutyl)phosphoryl)acetyl)pyrrolidine-2-carboxylate barium hydrate
Alternate CAS Number
98048-97-6
Storage & Transport Information
Shipping Temperature
Room Temperature
Country of Origin
CANADA
Product Attributes
Product Format
Neat
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