ChemSpider 2D Image | N-{(2R)-1-[(2S)-2-({(2S)-1-(1,3-Benzothiazol-2-yl)-5-[(diaminomethylene)amino]-1-oxo-2-pentanyl}carbamoyl)-1-pyrrolidinyl]-3-cyclohexyl-1-oxo-2-propanyl}glycine | C29H41N7O5S

N-{(2R)-1-[(2S)-2-({(2S)-1-(1,3-Benzothiazol-2-yl)-5-[(diaminomethylene)amino]-1-oxo-2-pentanyl}carbamoyl)-1-pyrrolidinyl]-3-cyclohexyl-1-oxo-2-propanyl}glycine

  • Molecular FormulaC29H41N7O5S
  • Average mass599.745 Da
  • Monoisotopic mass599.289001 Da
  • ChemSpider ID9459842

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

L-Prolinamide, N-(carboxymethyl)-3-cyclohexyl-D-alanyl-N-[(1S)-1-(2-benzothiazolylcarbonyl)-4-[(diaminomethylene)amino]butyl]- [ACD/Index Name]
N-{(2R)-1-[(2S)-2-({(2S)-1-(1,3-Benzothiazol-2-yl)-5-[(diaminomethylen)amino]-1-oxo-2-pentanyl}carbamoyl)-1-pyrrolidinyl]-3-cyclohexyl-1-oxo-2-propanyl}glycin [German] [ACD/IUPAC Name]
N-{(2R)-1-[(2S)-2-({(2S)-1-(1,3-Benzothiazol-2-yl)-5-[(diaminomethylene)amino]-1-oxo-2-pentanyl}carbamoyl)-1-pyrrolidinyl]-3-cyclohexyl-1-oxo-2-propanyl}glycine [ACD/IUPAC Name]
N-{(2R)-1-[(2S)-2-({(2S)-1-(1,3-Benzothiazol-2-yl)-5-[(diaminométhylène)amino]-1-oxo-2-pentanyl}carbamoyl)-1-pyrrolidinyl]-3-cyclohexyl-1-oxo-2-propanyl}glycine [French] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.701
Molar Refractivity: 158.1±0.5 cm3
#H bond acceptors: 12
#H bond donors: 7
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 3
ACD/LogP: 3.45
ACD/LogD (pH 5.5): -1.16
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.70
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 221 Å2
Polarizability: 62.7±0.5 10-24cm3
Surface Tension: 65.0±7.0 dyne/cm
Molar Volume: 408.6±7.0 cm3

Click to predict properties on the Chemicalize site


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