ChemSpider 2D Image | N~6~-Isopropyl-L-lysyl-L-prolyl-(4R)-4-acetamido-N-{(2S)-2-[(N~6~-carbamoyl-D-lysyl)amino]-4-methylpentanoyl}-N~2~-(4-chloro-D-phenylalanyl)-N-[(2S)-3-(4-hydroxyphenyl)-2-{[3-(3-pyridinyl)-D-alanyl-L- seryl]amino}propanoyl]-2-methyl-5-(2-naphthyl)-3-oxo-D-norvalinamide | C74H100ClN15O14

N6-Isopropyl-L-lysyl-L-prolyl-(4R)-4-acetamido-N-{(2S)-2-[(N6-carbamoyl-D-lysyl)amino]-4-methylpentanoyl}-N2-(4-chloro-D-phenylalanyl)-N-[(2S)-3-(4-hydroxyphenyl)-2-{[3-(3-pyridinyl)-D-alanyl-L- seryl]amino}propanoyl]-2-methyl-5-(2-naphthyl)-3-oxo-D-norvalinamide

  • Molecular FormulaC74H100ClN15O14
  • Average mass1459.131 Da
  • Monoisotopic mass1457.726318 Da
  • ChemSpider ID17287763

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

D-Norvalinamide, N6-(1-methylethyl)-L-lysyl-L-prolyl-4-(acetylamino)-N-[(2S)-2-[[(2R)-2-amino-6-[(aminocarbonyl)amino]-1-oxohexyl]amino]-4-methyl-1-oxopentyl]-N-[(2S)-2-[[(2S)-2-[[(2R)-2-amino-1-oxo -3-(3-pyridinyl)propyl]amino]-3-hydroxy-1-oxopropyl]amino]-3-(4-hydroxyphenyl)-1-oxopropyl]-N2-(4-chloro-D-phenylalanyl)-2-methyl-5-(2-naphthalenyl)-3-oxo-, (4R)- [ACD/Index Name]
N6-Isopropyl-L-lysyl-L-prolyl-(4R)-4-acetamido-N-{(2S)-2-[(N6-carbamoyl-D-lysyl)amino]-4-methylpentanoyl}-N2-(4-chlor-D-phenylalanyl)-N-[(2S)-3-(4-hydroxyphenyl)-2-{[3-(3-pyridinyl)-D-alanyl-L-s 
eryl]amino}propanoyl]-2-methyl-5-(2-naphthyl)-3-oxo-D-norvalinamid [German] [ACD/IUPAC Name]
N6-Isopropyl-L-lysyl-L-prolyl-(4R)-4-acetamido-N-{(2S)-2-[(N6-carbamoyl-D-lysyl)amino]-4-methylpentanoyl}-N2-(4-chloro-D-phenylalanyl)-N-[(2S)-3-(4-hydroxyphenyl)-2-{[3-(3-pyridinyl)-D-alanyl-L- 
seryl]amino}propanoyl]-2-methyl-5-(2-naphthyl)-3-oxo-D-norvalinamide [ACD/IUPAC Name]
N6-Isopropyl-L-lysyl-L-prolyl-(4R)-4-acétamido-N-{(2S)-2-[(N6-carbamoyl-D-lysyl)amino]-4-méthylpentanoyl}-N2-(4-chloro-D-phénylalanyl)-N-[(2S)-3-(4-hydroxyphényl)-2-{[3-(3-pyridinyl)-D-alanyl-L- 
séryl]amino}propanoyl]-2-méthyl-5-(2-naphtyl)-3-oxo-D-norvalinamide [French] [ACD/IUPAC Name]
(2R)-2-AMINO-N-[(2S)-1-[(2R,4R)-2-{N-[(2R)-2-AMINO-3-(4-CHLOROPHENYL)PROPANOYL]-1-[(2S)-1-[(2S)-2-AMINO-6-(ISOPROPYLAMINO)HEXANOYL]PYRROLIDIN-2-YL]FORMAMIDO}-N-[(2S)-2-[(2S)-2-[(2R)-2-AMINO-3-(PYRIDIN-3-YL)PROPANAMIDO]-3-HYDROXYPROPANAMIDO]-3-(4-HYDROXYPHENYL)PROPANOYL]-4-ACETAMIDO-2-METHYL-5-(NAPHTHALEN-2-YL)-3-OXOPENTANAMIDO]-4-METHYL-1-OXOPENTAN-2-YL]-6-(CARBAMOYLAMINO)HEXANAMIDE
151272-78-5 [RN]
antarelix

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: 1.610
Molar Refractivity: 389.8±0.3 cm3
#H bond acceptors: 29
#H bond donors: 18
#Freely Rotating Bonds: 38
#Rule of 5 Violations: 4
ACD/LogP: 5.10
ACD/LogD (pH 5.5): -4.07
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.55
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 470 Å2
Polarizability: 154.5±0.5 10-24cm3
Surface Tension: 64.0±3.0 dyne/cm
Molar Volume: 1124.9±3.0 cm3

Click to predict properties on the Chemicalize site


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