Found 1 result

Search term: CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)N=[N+]=[N-])C(=O)N[C@H](CCS(C)(=O)=O)Cc1ccc(CN)cc1 (Found by conversion of search term to chemical structure (full match))
ChemSpider 2D Image | N-[(2S)-2-Azido-3-phenylpropanoyl]-L-leucyl-N-[(2S)-1-[4-(aminomethyl)phenyl]-4-(methylsulfonyl)-2-butanyl]-L-leucinamide | C33H49N7O5S

N-[(2S)-2-Azido-3-phenylpropanoyl]-L-leucyl-N-[(2S)-1-[4-(aminomethyl)phenyl]-4-(methylsulfonyl)-2-butanyl]-L-leucinamide

  • Molecular FormulaC33H49N7O5S
  • Average mass655.851 Da
  • Monoisotopic mass655.351563 Da
  • ChemSpider ID35033629

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

L-Leucinamide, N-[(2S)-2-azido-1-oxo-3-phenylpropyl]-L-leucyl-N-[(1S)-1-[[4-(aminomethyl)phenyl]methyl]-3-(methylsulfonyl)propyl]- [ACD/Index Name]
N-[(2S)-2-Azido-3-phenylpropanoyl]-L-leucyl-N-[(2S)-1-[4-(aminomethyl)phenyl]-4-(methylsulfonyl)-2-butanyl]-L-leucinamid [German] [ACD/IUPAC Name]
N-[(2S)-2-Azido-3-phenylpropanoyl]-L-leucyl-N-[(2S)-1-[4-(aminomethyl)phenyl]-4-(methylsulfonyl)-2-butanyl]-L-leucinamide [ACD/IUPAC Name]
N-[(2S)-2-Azido-3-phénylpropanoyl]-L-leucyl-N-[(2S)-1-[4-(aminométhyl)phényl]-4-(méthylsulfonyl)-2-butanyl]-L-leucinamide [French] [ACD/IUPAC Name]

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

Density:
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 12
#H bond donors: 5
#Freely Rotating Bonds: 19
#Rule of 5 Violations: 3
ACD/LogP: 4.23
ACD/LogD (pH 5.5): 0.40
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.71
ACD/LogD (pH 7.4): 1.68
ACD/BCF (pH 7.4): 4.36
ACD/KOC (pH 7.4): 32.79
Polar Surface Area: 168 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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