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Search term: FUVHGJXBAITLDM-BIUJTGHWSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | N~2~-{[4-(2-Naphthoylamino)phenyl]acetyl}-L-arginyl-L-isoleucyl-L-alpha-aspartyl-N-[(2S)-2-methylbutyl]-L-alaninamide | C43H59N9O8

N2-{[4-(2-Naphthoylamino)phenyl]acetyl}-L-arginyl-L-isoleucyl-L-α-aspartyl-N-[(2S)-2-methylbutyl]-L-alaninamide

  • Molecular FormulaC43H59N9O8
  • Average mass829.984 Da
  • Monoisotopic mass829.448669 Da
  • ChemSpider ID23152372

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

L-Alaninamide, N2-[2-[4-[(2-naphthalenylcarbonyl)amino]phenyl]acetyl]-L-arginyl-L-isoleucyl-L-α-aspartyl-N-[(2S)-2-methylbutyl]- [ACD/Index Name]
N2-{[4-(2-Naphthoylamino)phenyl]acetyl}-L-arginyl-L-isoleucyl-L-α-asparagyl-N-[(2S)-2-methylbutyl]-L-alaninamid [German] [ACD/IUPAC Name]
N2-{[4-(2-Naphthoylamino)phenyl]acetyl}-L-arginyl-L-isoleucyl-L-α-aspartyl-N-[(2S)-2-methylbutyl]-L-alaninamide [ACD/IUPAC Name]
N2-{2-[4-(2-Naphtoylamino)phényl]acétyl}-L-arginyl-L-isoleucyl-L-α-aspartyl-N-[(2S)-2-méthylbutyl]-L-alaninamide [French] [ACD/IUPAC Name]
N5-(diaminomethylidene)-N2-({4-[(naphthalen-2-ylcarbonyl)amino]phenyl}acetyl)-L-ornithyl-L-isoleucyl-L-α-aspartyl-N-[(2S)-2-methylbutyl]-L-alaninamide
(S)-3-{(2S,3S)-2-[(S)-5-Guanidino-2-(2-{4-[(naphthalene-2-carbonyl)-amino]-phenyl}-acetylamino)-pentanoylamino]-3-methyl-pentanoylamino}-N-[(S)-1-((S)-2-methyl-butylcarbamoyl)-ethyl]-succinamic acid
CHEMBL61383

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: 1.621
Molar Refractivity: 224.2±0.5 cm3
#H bond acceptors: 17
#H bond donors: 11
#Freely Rotating Bonds: 23
#Rule of 5 Violations: 3
ACD/LogP: 4.18
ACD/LogD (pH 5.5): 0.38
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.90
ACD/LogD (pH 7.4): 0.34
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.63
Polar Surface Area: 276 Å2
Polarizability: 88.9±0.5 10-24cm3
Surface Tension: 51.9±7.0 dyne/cm
Molar Volume: 637.2±7.0 cm3

Click to predict properties on the Chemicalize site


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