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181038-47-1 | Carbamic acid, [4-[(2,4-dimethoxyphenyl)methyl]-2-hydroxy-5-[[2-methyl-1-[[[2-(4-morpholinyl)-2-oxo-1-(phenylmethyl)ethyl]amino]carbonyl]propyl]amino]-5-oxo-1-(phenylmethyl)pentyl]-, 1,1-dimethylethyl ester, [1S-[1R*,2R*,4S*,5[R*(R*)]]]- (9CI)
CAS No: 181038-47-1 Catalog No: AG0022N0 MDL No:
Product Description
Catalog Number:
AG0022N0
Chemical Name:
Carbamic acid, [4-[(2,4-dimethoxyphenyl)methyl]-2-hydroxy-5-[[2-methyl-1-[[[2-(4-morpholinyl)-2-oxo-1-(phenylmethyl)ethyl]amino]carbonyl]propyl]amino]-5-oxo-1-(phenylmethyl)pentyl]-, 1,1-dimethylethyl ester, [1S-[1R*,2R*,4S*,5[R*(R*)]]]- (9CI)
CAS Number:
181038-47-1
IUPAC Name:
tert-butyl N-[(2S,3S,5R)-5-[(2,4-dimethoxyphenyl)methyl]-3-hydroxy-6-[[(2S)-3-methyl-1-[[(2S)-1-morpholin-4-yl-1-oxo-3-phenylpropan-2-yl]amino]-1-oxobutan-2-yl]amino]-6-oxo-1-phenylhexan-2-yl]carbamate
InChI:
InChI=1S/C44H60N4O9/c1-29(2)39(41(51)45-36(25-31-16-12-9-13-17-31)42(52)48-20-22-56-23-21-48)47-40(50)33(26-32-18-19-34(54-6)28-38(32)55-7)27-37(49)35(24-30-14-10-8-11-15-30)46-43(53)57-44(3,4)5/h8-19,28-29,33,35-37,39,49H,20-27H2,1-7H3,(H,45,51)(H,46,53)(H,47,50)/t33-,35+,36+,37+,39+/m1/s1
InChI Key:
LYYFXNGWNVHQBO-ZMTKFLJGSA-N
Properties
Complexity:
1240
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
5
Defined Bond Stereocenter Count:
0
Exact Mass:
788.436g/mol
Formal Charge:
0
Heavy Atom Count:
57
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
788.983g/mol
Monoisotopic Mass:
788.436g/mol
Rotatable Bond Count:
20
Topological Polar Surface Area:
165A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.7
Literature
| Title | Journal |
|---|---|
| Synthesis of potent and orally active HIV-protease inhibitors. | Archiv der Pharmazie 19960601 |
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