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Search term: VKNFJABNSMOWGE-BIUJTGHWSA-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-argininamide | C43H59N9O8

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

  • Molecular FormulaC43H59N9O8
  • Average mass829.984 Da
  • Monoisotopic mass829.448669 Da
  • ChemSpider ID23152284
  • defined stereocentres - 6 of 6 defined stereocentres


More details:






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

L-Argininamide, 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-N5-(diaminomethylidene)-N-[(2S)-2-methylbutyl]-L-ornithinamide
N-{[4-(2-Naphthoylamino)phenyl]acetyl}-L-alanyl-L-isoleucyl-L-α-asparagyl-N-[(2S)-2-methylbutyl]-L-argininamid [German] [ACD/IUPAC Name]
N-{[4-(2-Naphthoylamino)phenyl]acetyl}-L-alanyl-L-isoleucyl-L-α-aspartyl-N-[(2S)-2-methylbutyl]-L-argininamide [ACD/IUPAC Name]
N-{2-[4-(2-Naphtoylamino)phényl]acétyl}-L-alanyl-L-isoleucyl-L-α-aspartyl-N-[(2S)-2-méthylbutyl]-L-argininamide [French] [ACD/IUPAC Name]
(S)-N-[(S)-4-Guanidino-1-((S)-2-methyl-butylcarbamoyl)-butyl]-3-{(2S,3S)-3-methyl-2-[(S)-2-(2-{4-[(naphthalene-2-carbonyl)-amino]-phenyl}-acetylamino)-propionylamino]-pentanoylamino}-succinamic acid
CHEMBL294263

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

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): 2.89
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

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