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Home > Fluorides > 144162-27-6
144162-27-6 | 2,5,10,13-Tetraazatetradecanedioic acid, 7,7-difluoro-3,12-bis(1-methylethyl)-4,8,11-trioxo-6,9-bis(phenylmethyl)-, bis(2-pyridinylmethyl) ester, [3S-(3R*,6R*,9R*,12R*)]- (9CI)
CAS No: 144162-27-6 Catalog No: AG001J1J MDL No:
Product Description
Catalog Number:
AG001J1J
Chemical Name:
2,5,10,13-Tetraazatetradecanedioic acid, 7,7-difluoro-3,12-bis(1-methylethyl)-4,8,11-trioxo-6,9-bis(phenylmethyl)-, bis(2-pyridinylmethyl) ester, [3S-(3R*,6R*,9R*,12R*)]- (9CI)
CAS Number:
144162-27-6
IUPAC Name:
pyridin-2-ylmethyl N-[(2S)-1-[[(2S,5S)-3,3-difluoro-5-[[(2S)-3-methyl-2-(pyridin-2-ylmethoxycarbonylamino)butanoyl]amino]-4-oxo-1,6-diphenylhexan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate
InChI:
InChI=1S/C42H48F2N6O7/c1-27(2)35(49-40(54)56-25-31-19-11-13-21-45-31)38(52)47-33(23-29-15-7-5-8-16-29)37(51)42(43,44)34(24-30-17-9-6-10-18-30)48-39(53)36(28(3)4)50-41(55)57-26-32-20-12-14-22-46-32/h5-22,27-28,33-36H,23-26H2,1-4H3,(H,47,52)(H,48,53)(H,49,54)(H,50,55)/t33-,34-,35-,36-/m0/s1
InChI Key:
QSHUTRHKYMAIMU-ZYADHFCISA-N
Properties
Complexity:
1290
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
786.355g/mol
Formal Charge:
0
Heavy Atom Count:
57
Hydrogen Bond Acceptor Count:
11
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
786.878g/mol
Monoisotopic Mass:
786.355g/mol
Rotatable Bond Count:
21
Topological Polar Surface Area:
178A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.4
Literature
| Title | Journal |
|---|---|
| Pseudo-symmetrical difluoroketones. Highly potent and specific inhibitors of HIV-1 protease. | FEBS letters 19930823 |
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