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Home > Fluorides > 133038-85-4
133038-85-4 | 2,5,10,13-Tetraazatetradecanedioic acid, 7,7-difluoro-3,12-bis(1-methylethyl)-4,8,11-trioxo-6,9-bis(phenylmethyl)-, bis(phenylmethyl) ester, [3S-(3R*,6R*,9R*,12R*)]- (9CI)
CAS No: 133038-85-4 Catalog No: AG0011JS MDL No:
Product Description
Catalog Number:
AG0011JS
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(phenylmethyl) ester, [3S-(3R*,6R*,9R*,12R*)]- (9CI)
CAS Number:
133038-85-4
IUPAC Name:
benzyl N-[(2S)-1-[[(2S,5S)-3,3-difluoro-5-[[(2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]-4-oxo-1,6-diphenylhexan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate
InChI:
InChI=1S/C44H50F2N4O7/c1-29(2)37(49-42(54)56-27-33-21-13-7-14-22-33)40(52)47-35(25-31-17-9-5-10-18-31)39(51)44(45,46)36(26-32-19-11-6-12-20-32)48-41(53)38(30(3)4)50-43(55)57-28-34-23-15-8-16-24-34/h5-24,29-30,35-38H,25-28H2,1-4H3,(H,47,52)(H,48,53)(H,49,54)(H,50,55)/t35-,36-,37-,38-/m0/s1
InChI Key:
YNCPFORRBHVPKK-ZQWQDMLBSA-N
Properties
Complexity:
1270
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
784.365g/mol
Formal Charge:
0
Heavy Atom Count:
57
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
784.902g/mol
Monoisotopic Mass:
784.365g/mol
Rotatable Bond Count:
21
Topological Polar Surface Area:
152A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8.5
Literature
| Title | Journal |
|---|---|
| Pseudo-symmetrical difluoroketones. Highly potent and specific inhibitors of HIV-1 protease. | FEBS letters 19930823 |
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