ChemSpider 2D Image | (2S)-N~1~-{(2S)-1-Amino-5-[(diaminomethylene)amino]-1-oxo-2-pentanyl}-2-({(2S,5S)-8-[(2S)-2-butanyl]-2,5-dibutyl-11-[(1R)-1-hydroxyethyl]-4,7,10,13-tetraoxo-3,6,9,12-tetraazatetradec-1-yl}amino)pentan ediamide | C35H67N11O8

(2S)-N1-{(2S)-1-Amino-5-[(diaminomethylene)amino]-1-oxo-2-pentanyl}-2-({(2S,5S)-8-[(2S)-2-butanyl]-2,5-dibutyl-11-[(1R)-1-hydroxyethyl]-4,7,10,13-tetraoxo-3,6,9,12-tetraazatetradec-1-yl}amino)pentan ediamide

  • Molecular FormulaC35H67N11O8
  • Average mass769.975 Da
  • Monoisotopic mass769.517395 Da
  • ChemSpider ID416014

  • defined stereocentres - 6 of 8 defined stereocentres

More details:

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

(2S)-N1-{(2S)-1-Amino-5-[(diaminomethylen)amino]-1-oxo-2-pentanyl}-2-({(2S,5S)-8-[(2S)-2-butanyl]-2,5-dibutyl-11-[(1R)-1-hydroxyethyl]-4,7,10,13-tetraoxo-3,6,9,12-tetraazatetradec-1-yl}amino)pentand iamid [German] [ACD/IUPAC Name]
(2S)-N1-{(2S)-1-Amino-5-[(diaminomethylene)amino]-1-oxo-2-pentanyl}-2-({(2S,5S)-8-[(2S)-2-butanyl]-2,5-dibutyl-11-[(1R)-1-hydroxyethyl]-4,7,10,13-tetraoxo-3,6,9,12-tetraazatetradec-1-yl}amino)pentan ediamide [ACD/IUPAC Name]
(2S)-N1-{(2S)-1-Amino-5-[(diaminométhylène)amino]-1-oxo-2-pentanyl}-2-({(2S,5S)-8-[(2S)-2-butanyl]-2,5-dibutyl-11-[(1R)-1-hydroxyéthyl]-4,7,10,13-tétraoxo-3,6,9,12-tétraazatétradéc-1-yl}amino)pentan ediamide [French] [ACD/IUPAC Name]
L-Norleucinamide, N-acetylthreonylisoleucyl-N-[(1S)-1-[[[(1S)-4-amino-1-[[[(1S)-1-(aminocarbonyl)-4-[(diaminomethylene)amino]butyl]amino]carbonyl]-4-oxobutyl]amino]methyl]pentyl]- [ACD/Index Name]
Ac-Thr-Ile-Nle-r-Nle-Gln-Arg-NH2
p2-Nucleocapsid Acetyl-Thr-Ile-Nle-r-Nle-Gln-Arg-NH2

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

AIDS081395 [DBID]
AIDS-081395 [DBID]

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: 1.592
Molar Refractivity: 198.6±0.5 cm3
#H bond acceptors: 19
#H bond donors: 15
#Freely Rotating Bonds: 29
#Rule of 5 Violations: 3
ACD/LogP: 0.18
ACD/LogD (pH 5.5): -4.02
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.77
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 328 Å2
Polarizability: 78.7±0.5 10-24cm3
Surface Tension: 51.5±7.0 dyne/cm
Molar Volume: 587.3±7.0 cm3

Click to predict properties on the Chemicalize site


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