ChemSpider 2D Image | N-Methyl-D-Phenylalanyl-N-{(1s)-4-Carbamimidamido-1-[(6-Carboxy-1,3-Benzothiazol-2-Yl)carbonyl]butyl}-L-Prolinamide | C29H35N7O5S

N-Methyl-D-Phenylalanyl-N-{(1s)-4-Carbamimidamido-1-[(6-Carboxy-1,3-Benzothiazol-2-Yl)carbonyl]butyl}-L-Prolinamide

  • Molecular FormulaC29H35N7O5S
  • Average mass593.697 Da
  • Monoisotopic mass593.242065 Da
  • ChemSpider ID9551733

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

L-Prolinamide, N-methyl-D-phenylalanyl-N-[(1S)-4-[(aminoiminomethyl)amino]-1-[(6-carboxy-2-benzothiazolyl)carbonyl]butyl]- [ACD/Index Name]
N-Methyl-D-phenylalanyl-N-[(2S)-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-[(2S)-5-carbamimidamido-1-(6-carboxy-1,3-benzothiazol-2-yl)-1-oxo-2-pentanyl]-L-prolinamide [ACD/IUPAC Name]
N-Méthyl-D-phénylalanyl-N-[(2S)-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-[(2S)-5-carbamimidamido-1-(6-carboxy-1,3-benzothiazol-2-yl)-1-oxopentan-2-yl]-L-prolinamide
N-Methyl-D-Phenylalanyl-N-{(1s)-4-Carbamimidamido-1-[(6-Carboxy-1,3-Benzothiazol-2-Yl)carbonyl]butyl}-L-Prolinamide
2-((S)-5-guanidino-2-((S)-1-((R)-2-(methylamino)-3-phenylpropanoyl)pyrrolidine-2-carboxamido)pentanoyl)benzo[d]thiazole-6-carboxylic acid
2-((S)-5-Guanidino-2-{[(S)-1-((R)-2-methylamino-3-phenyl-propionyl)-pyrrolidine-2-carbonyl]-amino}-pentanoyl)-benzothiazole-6-carboxylic acid
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL403929/
RWJ-51438

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: 14
#Rule of 5 Violations: 3
ACD/LogP: 1.66
ACD/LogD (pH 5.5): -1.97
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.56
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 219 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


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