ChemSpider 2D Image | (2R)-2-acetamido-N-[(1S)-1-[[(1R,2S)-1-[[(1S,2R)-1-[[(1S)-1-[[(1S,2S)-1-[[(1S)-1-[(2S)-2-(ethylcarbamoyl)pyrrolidine-1-carbonyl]-4-guanidino-butyl]carbamoyl]-2-methyl-butyl]carbamoyl]butyl]carbamoyl]-2-hydroxy-propyl]carbamoyl]-2-methyl-butyl]carbamoyl]-2-methyl-propyl]pentanediamide | C46H83N13O11

(2R)-2-acetamido-N-[(1S)-1-[[(1R,2S)-1-[[(1S,2R)-1-[[(1S)-1-[[(1S,2S)-1-[[(1S)-1-[(2S)-2-(ethylcarbamoyl)pyrrolidine-1-carbonyl]-4-guanidino-butyl]carbamoyl]-2-methyl-butyl]carbamoyl]butyl]carbamoyl]-2-hydroxy-propyl]carbamoyl]-2-methyl-butyl]carbamoyl]-2-methyl-propyl]pentanediamide

  • Molecular FormulaC46H83N13O11
  • Average mass994.232 Da
  • Monoisotopic mass993.633484 Da
  • ChemSpider ID8460248

  • defined stereocentres - 11 of 11 defined stereocentres

More details:

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

N2-Acetyl-D-glutaminyl-L-valyl-D-alloisoleucyl-L-threonyl-L-norvalyl-L-isoleucyl-N5-(diaminomethylen)-L-ornithyl-N-ethyl-L-prolinamid [German] [ACD/IUPAC Name]
N2-Acétyl-D-glutaminyl-L-valyl-D-alloisoleucyl-L-thréonyl-L-norvalyl-L-isoleucyl-N5-(diaminométhylène)-L-ornithyl-N-éthyl-L-prolinamide [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.604
Molar Refractivity: 256.7±0.5 cm3
#H bond acceptors: 24
#H bond donors: 15
#Freely Rotating Bonds: 31
#Rule of 5 Violations: 3
ACD/LogP: 0.95
ACD/LogD (pH 5.5): -2.73
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.73
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 381 Å2
Polarizability: 101.8±0.5 10-24cm3
Surface Tension: 51.3±7.0 dyne/cm
Molar Volume: 746.1±7.0 cm3

Click to predict properties on the Chemicalize site


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