ChemSpider 2D Image | MK-351A | C28H36N4O6

MK-351A

  • Molecular FormulaC28H36N4O6
  • Average mass524.609 Da
  • Monoisotopic mass524.263489 Da
  • ChemSpider ID108943

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(E)-N2-[(1S)-1-Carboxy-3-phenylpropyl]-N6-{[(4-hydroxyphenyl)amino]methylen}-L-lysyl-L-prolin [German] [ACD/IUPAC Name]
(E)-N2-[(1S)-1-Carboxy-3-phenylpropyl]-N6-{[(4-hydroxyphenyl)amino]methylene}-L-lysyl-L-proline [ACD/IUPAC Name]
(E)-N2-[(1S)-1-Carboxy-3-phénylpropyl]-N6-{[(4-hydroxyphényl)amino]méthylène}-L-lysyl-L-proline [French] [ACD/IUPAC Name]
92234-10-1 [RN]
L-Proline, (E)-N2-[(1S)-1-carboxy-3-phenylpropyl]-N6-[[(4-hydroxyphenyl)amino]methylene]-L-lysyl- [ACD/Index Name]
MK-351A
(2S)-1-[(2S)-2-{[(1S)-1-CARBOXY-3-PHENYLPROPYL]AMINO}-6-({[(4-HYDROXYPHENYL)AMINO]METHYLIDENE}AMINO)HEXANOYL]PYRROLIDINE-2-CARBOXYLIC ACID
(S)-1-((S)-2-(((S)-1-Carboxy-3-phenylpropyl)amino)-6-(N'-(4-hydroxyphenyl)formimidamido)hexanoyl)pyrrolidine-2-carboxylic acid
351A
Compound 351 A
More...

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

0CNN4A598M [DBID]
UNII:0CNN4A598M [DBID]
UNII-0CNN4A598M [DBID]
  • Miscellaneous

    • Chemical Class:

      A member of the class of formamidines that is lisinopril in which the primary amino group is substituted by an {(E)-[(4-hydroxyphenyl)imino]methyl}amino group. It is a potent ACE inhibitor. ChEBI CHEBI:177385

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

Density: 1.3±0.1 g/cm3
Boiling Point: 792.5±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 120.9±3.0 kJ/mol
Flash Point: 433.1±35.7 °C
Index of Refraction: 1.618
Molar Refractivity: 142.2±0.5 cm3
#H bond acceptors: 10
#H bond donors: 5
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 3
ACD/LogP: 2.85
ACD/LogD (pH 5.5): -0.05
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.59
ACD/LogD (pH 7.4): -0.52
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 152 Å2
Polarizability: 56.4±0.5 10-24cm3
Surface Tension: 53.7±7.0 dyne/cm
Molar Volume: 405.7±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement