Found 29 results

Search term: MF = 'C_{30}H_{47}N_{3}O_{6}S'
ChemSpider 2D Image | (4S)-4-{[(3S,4S)-5-Cyclohexyl-3-hydroxy-4-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)pentanoyl]amino}-5-[(3-phenylpropyl)amino]-5-thioxopentanoic acid | C30H47N3O6S

(4S)-4-{[(3S,4S)-5-Cyclohexyl-3-hydroxy-4-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)pentanoyl]amino}-5-[(3-phenylpropyl)amino]-5-thioxopentanoic acid

  • Molecular FormulaC30H47N3O6S
  • Average mass577.776 Da
  • Monoisotopic mass577.318542 Da
  • ChemSpider ID13096349

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(4S)-4-{[(3S,4S)-5-Cyclohexyl-3-hydroxy-4-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)pentanoyl]amino}-5-[(3-phenylpropyl)amino]-5-thioxopentanoic acid [ACD/IUPAC Name]
(4S)-4-{[(3S,4S)-5-Cyclohexyl-3-hydroxy-4-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)pentanoyl]amino}-5-[(3-phenylpropyl)amino]-5-thioxopentansäure [German] [ACD/IUPAC Name]
Acide (4S)-4-{[(3S,4S)-5-cyclohexyl-3-hydroxy-4-({[(2-méthyl-2-propanyl)oxy]carbonyl}amino)pentanoyl]amino}-5-[(3-phénylpropyl)amino]-5-thioxopentanoïque [French] [ACD/IUPAC Name]

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: 1.554
Molar Refractivity: 158.4±0.3 cm3
#H bond acceptors: 9
#H bond donors: 5
#Freely Rotating Bonds: 18
#Rule of 5 Violations: 3
ACD/LogP: 5.51
ACD/LogD (pH 5.5): 3.68
ACD/BCF (pH 5.5): 193.77
ACD/KOC (pH 5.5): 699.14
ACD/LogD (pH 7.4): 1.89
ACD/BCF (pH 7.4): 3.12
ACD/KOC (pH 7.4): 11.26
Polar Surface Area: 169 Å2
Polarizability: 62.8±0.5 10-24cm3
Surface Tension: 50.8±3.0 dyne/cm
Molar Volume: 494.2±3.0 cm3

Click to predict properties on the Chemicalize site


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