ChemSpider 2D Image | Methyl N-[(2s)-1-[2-[(4r)-5-[[(2s)-3,3-Dimethyl-1-Methylamino-1-Oxo-Butan-2-Yl]amino]-4-Hydroxy-5-Oxo-4-(Phenylmethyl)pentyl]-2-[(4-Thiophen-3-Ylphenyl)methyl]hydrazinyl]-3,3-Dimethyl-1-Oxo-Butan-2-Yl]carbamate | C38H53N5O6S

Methyl N-[(2s)-1-[2-[(4r)-5-[[(2s)-3,3-Dimethyl-1-Methylamino-1-Oxo-Butan-2-Yl]amino]-4-Hydroxy-5-Oxo-4-(Phenylmethyl)pentyl]-2-[(4-Thiophen-3-Ylphenyl)methyl]hydrazinyl]-3,3-Dimethyl-1-Oxo-Butan-2-Yl]carbamate

  • Molecular FormulaC38H53N5O6S
  • Average mass707.922 Da
  • Monoisotopic mass707.371643 Da
  • ChemSpider ID26326927

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

[(2S)-1-{2-[(4R)-4-Benzyl-5-{[(2S)-3,3-diméthyl-1-(méthylamino)-1-oxo-2-butanyl]amino}-4-hydroxy-5-oxopentyl]-2-[4-(3-thiényl)benzyl]hydrazino}-3,3-diméthyl-1-oxo-2-butanyl]carbamate de méthyle (non-p referred name) [French] [ACD/IUPAC Name]
Methyl [(2S)-1-{2-[(4R)-4-benzyl-5-{[(2S)-3,3-dimethyl-1-(methylamino)-1-oxo-2-butanyl]amino}-4-hydroxy-5-oxopentyl]-2-[4-(3-thienyl)benzyl]hydrazino}-3,3-dimethyl-1-oxo-2-butanyl]carbamate (non-prefe rred name) [ACD/IUPAC Name]
Methyl N-[(2s)-1-[2-[(4r)-5-[[(2s)-3,3-Dimethyl-1-Methylamino-1-Oxo-Butan-2-Yl]amino]-4-Hydroxy-5-Oxo-4-(Phenylmethyl)pentyl]-2-[(4-Thiophen-3-Ylphenyl)methyl]hydrazinyl]-3,3-Dimethyl-1-Oxo-Butan-2-Yl]carbamate
Methyl-[(2S)-1-{2-[(4R)-4-benzyl-5-{[(2S)-3,3-dimethyl-1-(methylamino)-1-oxo-2-butanyl]amino}-4-hydroxy-5-oxopentyl]-2-[4-(3-thienyl)benzyl]hydrazino}-3,3-dimethyl-1-oxo-2-butanyl]carbamat (non-prefer red name) [German] [ACD/IUPAC Name]
G40

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: 1.567
Molar Refractivity: 197.2±0.3 cm3
#H bond acceptors: 11
#H bond donors: 5
#Freely Rotating Bonds: 18
#Rule of 5 Violations: 4
ACD/LogP: 6.48
ACD/LogD (pH 5.5): 5.70
ACD/BCF (pH 5.5): 12696.09
ACD/KOC (pH 5.5): 30105.37
ACD/LogD (pH 7.4): 5.70
ACD/BCF (pH 7.4): 12701.20
ACD/KOC (pH 7.4): 30117.46
Polar Surface Area: 177 Å2
Polarizability: 78.2±0.5 10-24cm3
Surface Tension: 47.2±3.0 dyne/cm
Molar Volume: 603.6±3.0 cm3

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