Found 1 result

Search term: O[C@@H]1[C@@H](O)[C@@H](Cc2ccccc2)N(Cc2cccc(c2)C(=O)Nc2nccs2)C(=O)N(Cc2cccc(c2)C(=O)Nc2nccs2)[C@@H]1Cc1ccccc1 (Found by conversion of search term to chemical structure (full match))
ChemSpider 2D Image | 3,3'-{[(4R,5S,6S,7R)-4,7-Dibenzyl-5,6-dihydroxy-2-oxo-1,3-diazepane-1,3-diyl]bis(methylene)}bis[N-(1,3-thiazol-2-yl)benzamide] | C41H38N6O5S2

3,3'-{[(4R,5S,6S,7R)-4,7-Dibenzyl-5,6-dihydroxy-2-oxo-1,3-diazepane-1,3-diyl]bis(methylene)}bis[N-(1,3-thiazol-2-yl)benzamide]

  • Molecular FormulaC41H38N6O5S2
  • Average mass758.908 Da
  • Monoisotopic mass758.234497 Da
  • ChemSpider ID389865

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

[4R-(4α,5α,6β,7β)]-3,3'-[[TETRAHYDRO-5,6-DIHYDROXY-2-OXO-4,7-BIS(PHENYLMETHYL)-1H-1,3-DIAZEPINE-1,3(2H)-DIYL] BIS(METHYLENE)]BIS[N-2-THIAZOLYLBENZAMIDE]
3,3'-{[(4R,5S,6S,7R)-4,7-Dibenzyl-5,6-dihydroxy-2-oxo-1,3-diazepan-1,3-diyl]dimethylen}bis[N-(1,3-thiazol-2-yl)benzamid] [German] [ACD/IUPAC Name]
3,3'-{[(4R,5S,6S,7R)-4,7-Dibenzyl-5,6-dihydroxy-2-oxo-1,3-diazepane-1,3-diyl]bis(methylene)}bis[N-(1,3-thiazol-2-yl)benzamide] [ACD/IUPAC Name]
3,3'-{[(4R,5S,6S,7R)-4,7-Dibenzyl-5,6-dihydroxy-2-oxo-1,3-diazépane-1,3-diyl]diméthylène}bis[N-(1,3-thiazol-2-yl)benzamide] [French] [ACD/IUPAC Name]
Benzamide, 3,3'-[[(4R,5S,6S,7R)-tetrahydro-5,6-dihydroxy-2-oxo-4,7-bis(phenylmethyl)-1H-1,3-diazepine-1,3(2H)-diyl]bis(methylene)]bis[N-2-thiazolyl- [ACD/Index Name]
(4R-(4α,5α,6β,7β))-3,3'-((Tetrahydro-5,6-dihydroxy-2-oxo-4,7-bis(phenylmethyl)-1H-1,3-diazepine-1,3(2H)-diyl)-bis(methylene))bis(N-2-thiazolylbenzamide)
[4R-(4α,5α,6β,7β)]-3,3'-[[Tetrahydro-5,6-dihydroxy-2-oxo-4,7-bis(phenylmethyl)-1H-1,3-diazepine-1,3(2H)-diyl]bis(methylene)]bis[N-2-thiazolylbenzamide]
[4R-(4α,5α,6β,7β)]-3,3'-[[Tetrahydro-5,6-dihydroxy-2-oxo-4,7-bis(phenylmethyl)-1H-1,3-diazepine-1,3(2H)-diyl]-bis(methylene)]bis[N-2-thiazolylbenzamide]
183854-11-7 [RN]
3,3'-{[(4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-2-oxo-1,3-diazepane-1,3-diyl]dimethanediyl}bis[N-(1,3-thiazol-2-yl)benzamide]
More...

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

AIDS043317 [DBID]
AIDS-043317 [DBID]
C06488 [DBID]
  • Miscellaneous

    • Chemical Class:

      A member of the class of diazepanones that is 1,3-diazepane which is substituted by a 3-(1,3-thiazol-2-ylcarbamoyl)benzyl group at positions 1 and 3, oxo group at position 2, hydroxy groups at positio ns 5S and 6S, and benzyl groups at positions 4R and 7R. It is a potent HIV-1 protease inhibitor. ChEBI CHEBI:10050

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.728
Molar Refractivity: 212.3±0.3 cm3
#H bond acceptors: 11
#H bond donors: 4
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: 8.38
ACD/LogD (pH 5.5): 5.59
ACD/BCF (pH 5.5): 10421.94
ACD/KOC (pH 5.5): 25902.69
ACD/LogD (pH 7.4): 4.92
ACD/BCF (pH 7.4): 2206.11
ACD/KOC (pH 7.4): 5483.06
Polar Surface Area: 204 Å2
Polarizability: 84.2±0.5 10-24cm3
Surface Tension: 79.5±3.0 dyne/cm
Molar Volume: 533.1±3.0 cm3

Click to predict properties on the Chemicalize site


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