ChemSpider 2D Image | N-methyl-D-phenylalanyl-N-[(2S)-1-(1,3-benzothiazol-2-yl)-5-carbamimidamido-1-oxopentan-2-yl]-L-prolinamide | C28H35N7O3S

N-methyl-D-phenylalanyl-N-[(2S)-1-(1,3-benzothiazol-2-yl)-5-carbamimidamido-1-oxopentan-2-yl]-L-prolinamide

  • Molecular FormulaC28H35N7O3S
  • Average mass549.688 Da
  • Monoisotopic mass549.252197 Da
  • ChemSpider ID8047952

  • 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)-1-(2-benzothiazolylcarbonyl)-4-[(diaminomethylene)amino]butyl]- [ACD/Index Name]
N-methyl-D-phenylalanyl-N-[(2S)-1-(1,3-benzothiazol-2-yl)-5-carbamimidamido-1-oxopentan-2-yl]-L-prolinamide
N-Methyl-D-phenylalanyl-N-{(2S)-1-(1,3-benzothiazol-2-yl)-5-[(diaminomethylen)amino]-1-oxo-2-pentanyl}-L-prolinamid [German] [ACD/IUPAC Name]
N-Methyl-D-phenylalanyl-N-{(2S)-1-(1,3-benzothiazol-2-yl)-5-[(diaminomethylene)amino]-1-oxo-2-pentanyl}-L-prolinamide [ACD/IUPAC Name]
N-Méthyl-D-phénylalanyl-N-{(2S)-1-(1,3-benzothiazol-2-yl)-5-[(diaminométhylène)amino]-1-oxo-2-pentanyl}-L-prolinamide [French] [ACD/IUPAC Name]
(S)-1-((R)-2-Methylamino-3-phenyl-propionyl)-pyrrolidine-2-carboxylic acid [(S)-1-(benzothiazole-2-carbonyl)-4-guanidino-butyl]-amide
(S)-N-((S)-1-(benzo[d]thiazol-2-yl)-5-guanidino-1-oxopentan-2-yl)-1-((R)-2-(methylamino)-3-phenylpropanoyl)pyrrolidine-2-carboxamide
CHEMBL270437
CHEMBL339122
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL270437/
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.689
Molar Refractivity: 151.6±0.5 cm3
#H bond acceptors: 10
#H bond donors: 6
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: 2.49
ACD/LogD (pH 5.5): -2.00
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.75
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 184 Å2
Polarizability: 60.1±0.5 10-24cm3
Surface Tension: 59.4±7.0 dyne/cm
Molar Volume: 397.2±7.0 cm3

Click to predict properties on the Chemicalize site


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