ChemSpider 2D Image | (2S)-2-Amino-N-[(2S)-1-{[(2S)-1-(2-{[5-(dimethylamino)-1-naphthyl]sulfonyl}hydrazino)-3-methyl-1-oxo-2-butanyl]amino}-3-methyl-1-oxo-2-butanyl]-3-methylbutanamide | C27H42N6O5S

(2S)-2-Amino-N-[(2S)-1-{[(2S)-1-(2-{[5-(dimethylamino)-1-naphthyl]sulfonyl}hydrazino)-3-methyl-1-oxo-2-butanyl]amino}-3-methyl-1-oxo-2-butanyl]-3-methylbutanamide

  • Molecular FormulaC27H42N6O5S
  • Average mass562.725 Da
  • Monoisotopic mass562.293762 Da
  • ChemSpider ID169792

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(2S)-2-Amino-N-[(2S)-1-{[(2S)-1-(2-{[5-(dimethylamino)-1-naphthyl]sulfonyl}hydrazino)-3-methyl-1-oxo-2-butanyl]amino}-3-methyl-1-oxo-2-butanyl]-3-methylbutanamid [German] [ACD/IUPAC Name]
(2S)-2-Amino-N-[(2S)-1-{[(2S)-1-(2-{[5-(dimethylamino)-1-naphthyl]sulfonyl}hydrazino)-3-methyl-1-oxo-2-butanyl]amino}-3-methyl-1-oxo-2-butanyl]-3-methylbutanamide [ACD/IUPAC Name]
(2S)-2-Amino-N-[(2S)-1-{[(2S)-1-(2-{[5-(diméthylamino)-1-naphtyl]sulfonyl}hydrazino)-3-méthyl-1-oxo-2-butanyl]amino}-3-méthyl-1-oxo-2-butanyl]-3-méthylbutanamide [French] [ACD/IUPAC Name]
(2S)-2-[(2S)-2-AMINO-3-METHYLBUTANAMIDO]-N-[(1S)-1-{N'-[5-(DIMETHYLAMINO)NAPHTHALEN-1-YLSULFONYL]HYDRAZINECARBONYL}-2-METHYLPROPYL]-3-METHYLBUTANAMIDE
(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-N-[(2S)-1-[2-(5-dimethylaminonaphthalen-1-yl)sulfonylhydrazinyl]-3-methyl-1-oxobutan-2-yl]-3-methylbutanamide
(2S)-2-amino-N-[(2S)-1-[[(2S)-1-[2-[5-(dimethylamino)naphthalen-1-yl]sulfonylhydrazinyl]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-3-methylbutanamide
76080-91-6 [RN]
Dansylhydrazide trivaline
DGTV
H-Val-val-val-N2H2-dns
More...

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

Density: 1.2±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.574
Molar Refractivity: 154.2±0.4 cm3
#H bond acceptors: 11
#H bond donors: 6
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: 3.84
ACD/LogD (pH 5.5): -0.65
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.99
ACD/BCF (pH 7.4): 1.99
ACD/KOC (pH 7.4): 31.31
Polar Surface Area: 171 Å2
Polarizability: 61.1±0.5 10-24cm3
Surface Tension: 49.7±3.0 dyne/cm
Molar Volume: 467.0±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement