Found 1 result

Search term: CC(C)C[C@H](NC(=O)[C@@H](Cc1ccc(CN)cc1)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 | 4-(Aminomethyl)-N-[(2S)-2-azido-3-phenylpropanoyl]-D-phenylalanyl-N-[(2S)-1-[4-(aminomethyl)phenyl]-4-(methylsulfonyl)-2-butanyl]-L-leucinamide | C37H50N8O5S

4-(Aminomethyl)-N-[(2S)-2-azido-3-phenylpropanoyl]-D-phenylalanyl-N-[(2S)-1-[4-(aminomethyl)phenyl]-4-(methylsulfonyl)-2-butanyl]-L-leucinamide

  • Molecular FormulaC37H50N8O5S
  • Average mass718.909 Da
  • Monoisotopic mass718.362488 Da
  • ChemSpider ID35033632

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

4-(Aminomethyl)-N-[(2S)-2-azido-3-phenylpropanoyl]-D-phenylalanyl-N-[(2S)-1-[4-(aminomethyl)phenyl]-4-(methylsulfonyl)-2-butanyl]-L-leucinamid [German] [ACD/IUPAC Name]
4-(Aminomethyl)-N-[(2S)-2-azido-3-phenylpropanoyl]-D-phenylalanyl-N-[(2S)-1-[4-(aminomethyl)phenyl]-4-(methylsulfonyl)-2-butanyl]-L-leucinamide [ACD/IUPAC Name]
4-(Aminométhyl)-N-[(2S)-2-azido-3-phénylpropanoyl]-D-phénylalanyl-N-[(2S)-1-[4-(aminométhyl)phényl]-4-(méthylsulfonyl)-2-butanyl]-L-leucinamide [French] [ACD/IUPAC Name]
L-Leucinamide, 4-(aminomethyl)-N-[(2S)-2-azido-1-oxo-3-phenylpropyl]-D-phenylalanyl-N-[(1S)-1-[[4-(aminomethyl)phenyl]methyl]-3-(methylsulfonyl)propyl]- [ACD/Index 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: 13
#H bond donors: 7
#Freely Rotating Bonds: 20
#Rule of 5 Violations: 3
ACD/LogP: 3.53
ACD/LogD (pH 5.5): -1.39
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.59
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 194 Å2
Polarizability:
Surface Tension:
Molar Volume:

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