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119072-36-5 | Propanoic acid, 2,2-dimethyl-, 3-hydroxy-2,2-dimethyl-4-oxo-4-[[3-oxo-3-[[2-[(1-oxo-2-propenyl)thio]ethyl]amino]propyl]amino]butyl ester, (R)- (9CI)
CAS No: 119072-36-5 Catalog No: AG000I5I MDL No:
Product Description
Catalog Number:
AG000I5I
Chemical Name:
Propanoic acid, 2,2-dimethyl-, 3-hydroxy-2,2-dimethyl-4-oxo-4-[[3-oxo-3-[[2-[(1-oxo-2-propenyl)thio]ethyl]amino]propyl]amino]butyl ester, (R)- (9CI)
CAS Number:
119072-36-5
IUPAC Name:
[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-[[3-oxo-3-(2-prop-2-enoylsulfanylethylamino)propyl]amino]butyl] 2,2-dimethylpropanoate
InChI:
InChI=1S/C19H32N2O6S/c1-7-14(23)28-11-10-20-13(22)8-9-21-16(25)15(24)19(5,6)12-27-17(26)18(2,3)4/h7,15,24H,1,8-12H2,2-6H3,(H,20,22)(H,21,25)/t15-/m0/s1
InChI Key:
VTOUEJHZFCIFDO-HNNXBMFYSA-N
Properties
Complexity:
584
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
416.198g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
416.533g/mol
Monoisotopic Mass:
416.198g/mol
Rotatable Bond Count:
14
Topological Polar Surface Area:
147A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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