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Search term: USKHZVUKGMGKMN-IPLXQDJTSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | N-{[4-(2-Naphthoylamino)phenyl]acetyl}-L-alanyl-L-isoleucyl-L-alpha-aspartyl-N-[(2S)-2-methylbutyl]-L-alaninamide | C40H52N6O8

N-{[4-(2-Naphthoylamino)phenyl]acetyl}-L-alanyl-L-isoleucyl-L-α-aspartyl-N-[(2S)-2-methylbutyl]-L-alaninamide

  • Molecular FormulaC40H52N6O8
  • Average mass744.876 Da
  • Monoisotopic mass744.384644 Da
  • ChemSpider ID23152379

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

L-Alaninamide, N-[2-[4-[(2-naphthalenylcarbonyl)amino]phenyl]acetyl]-L-alanyl-L-isoleucyl-L-α-aspartyl-N-[(2S)-2-methylbutyl]- [ACD/Index Name]
N-({4-[(naphthalen-2-ylcarbonyl)amino]phenyl}acetyl)-L-alanyl-L-isoleucyl-L-α-aspartyl-N-[(2S)-2-methylbutyl]-L-alaninamide
N-{[4-(2-Naphthoylamino)phenyl]acetyl}-L-alanyl-L-isoleucyl-L-α-asparagyl-N-[(2S)-2-methylbutyl]-L-alaninamid [German] [ACD/IUPAC Name]
N-{[4-(2-Naphthoylamino)phenyl]acetyl}-L-alanyl-L-isoleucyl-L-α-aspartyl-N-[(2S)-2-methylbutyl]-L-alaninamide [ACD/IUPAC Name]
N-{2-[4-(2-Naphtoylamino)phényl]acétyl}-L-alanyl-L-isoleucyl-L-α-aspartyl-N-[(2S)-2-méthylbutyl]-L-alaninamide [French] [ACD/IUPAC Name]
(S)-N-[(S)-1-((S)-2-Methyl-butylcarbamoyl)-ethyl]-3-{(2S,3S)-3-methyl-2-[(S)-2-(2-{4-[(naphthalene-2-carbonyl)-amino]-phenyl}-acetylamino)-propionylamino]-pentanoylamino}-succinamic acid
CHEMBL304191
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL304191/

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

Density: 1.2±0.1 g/cm3
Boiling Point: 1032.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 158.1±3.0 kJ/mol
Flash Point: 578.2±34.3 °C
Index of Refraction: 1.589
Molar Refractivity: 204.9±0.3 cm3
#H bond acceptors: 14
#H bond donors: 7
#Freely Rotating Bonds: 19
#Rule of 5 Violations: 3
ACD/LogP: 4.79
ACD/LogD (pH 5.5): 1.55
ACD/BCF (pH 5.5): 4.28
ACD/KOC (pH 5.5): 41.56
ACD/LogD (pH 7.4): -0.22
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 212 Å2
Polarizability: 81.2±0.5 10-24cm3
Surface Tension: 52.0±3.0 dyne/cm
Molar Volume: 608.4±3.0 cm3

Click to predict properties on the Chemicalize site


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