ChemSpider 2D Image | N-Methyl-D-phenylalanyl-N-[5-carbamimidamido-1-(6-carboxy-1,3-benzothiazol-2-yl)-1-oxo-2-pentanyl]-L-prolinamide | C29H35N7O5S

N-Methyl-D-phenylalanyl-N-[5-carbamimidamido-1-(6-carboxy-1,3-benzothiazol-2-yl)-1-oxo-2-pentanyl]-L-prolinamide

  • Molecular FormulaC29H35N7O5S
  • Average mass593.697 Da
  • Monoisotopic mass593.242065 Da
  • ChemSpider ID23243883

  • defined stereocentres - 2 of 3 defined stereocentres

More details:

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

L-Prolinamide, N-methyl-D-phenylalanyl-N-[4-[(aminoiminomethyl)amino]-1-[(6-carboxy-2-benzothiazolyl)carbonyl]butyl]- [ACD/Index Name]
N-Methyl-D-phenylalanyl-N-[5-carbamimidamido-1-(6-carboxy-1,3-benzothiazol-2-yl)-1-oxo-2-pentanyl]-L-prolinamid [German] [ACD/IUPAC Name]
N-Methyl-D-phenylalanyl-N-[5-carbamimidamido-1-(6-carboxy-1,3-benzothiazol-2-yl)-1-oxo-2-pentanyl]-L-prolinamide [ACD/IUPAC Name]
N-Méthyl-D-phénylalanyl-N-[5-carbamimidamido-1-(6-carboxy-1,3-benzothiazol-2-yl)-1-oxo-2-pentanyl]-L-prolinamide [French] [ACD/IUPAC Name]
N-methyl-D-phenylalanyl-N-{1-(6-carboxy-1,3-benzothiazol-2-yl)-5-[(diaminomethylidene)amino]-1-oxopentan-2-yl}-L-prolinamide
2-(5-Guanidino-2-{[(S)-1-((R)-2-methylamino-3-phenyl-propionyl)-pyrrolidine-2-carbonyl]-amino}-pentanoyl)-benzothiazole-6-carboxylic acid

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: 1.702
Molar Refractivity: 157.9±0.5 cm3
#H bond acceptors: 12
#H bond donors: 7
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 3
ACD/LogP: 2.17
ACD/LogD (pH 5.5): -1.81
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.41
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 221 Å2
Polarizability: 62.6±0.5 10-24cm3
Surface Tension: 63.9±7.0 dyne/cm
Molar Volume: 407.7±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement