ChemSpider 2D Image | ACETYL-NH-VAL-CYCLOHEXYL-CH2[NCH2CHOH]CH2-BENZYL-VAL-NH-ACETYL | C31H51N5O5

ACETYL-NH-VAL-CYCLOHEXYL-CH2[NCH2CHOH]CH2-BENZYL-VAL-NH-ACETYL

  • Molecular FormulaC31H51N5O5
  • Average mass573.767 Da
  • Monoisotopic mass573.389038 Da
  • ChemSpider ID58537

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(2S)-2-Acetamido-N-[(2S,3S)-4-{2-[(2S)-2-acetamido-3-methylbutanoyl]-1-(cyclohexylmethyl)hydrazino}-3-hydroxy-1-phenyl-2-butanyl]-3-methylbutanamid [German] [ACD/IUPAC Name]
(2S)-2-Acetamido-N-[(2S,3S)-4-{2-[(2S)-2-acetamido-3-methylbutanoyl]-1-(cyclohexylmethyl)hydrazino}-3-hydroxy-1-phenyl-2-butanyl]-3-methylbutanamide [ACD/IUPAC Name]
(2S)-2-Acétamido-N-[(2S,3S)-4-{2-[(2S)-2-acétamido-3-méthylbutanoyl]-1-(cyclohexylméthyl)hydrazino}-3-hydroxy-1-phényl-2-butanyl]-3-méthylbutanamide [French] [ACD/IUPAC Name]
149267-24-3 [RN]
ACETYL-NH-VAL-CYCLOHEXYL-CH2[NCH2CHOH]CH2-BENZYL-VAL-NH-ACETYL
(2S)-2-acetamido-N-[(2S,3S)-4-[[[(2S)-2-acetamido-3-methylbutanoyl]amino]-(cyclohexylmethyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-3-methylbutanamide
(2S)-N-[(2S,3S)-4-[(2S)-N'-(CYCLOHEXYLMETHYL)-2-ACETAMIDO-3-METHYLBUTANEHYDRAZIDO]-3-HYDROXY-1-PHENYLBUTAN-2-YL]-2-ACETAMIDO-3-METHYLBUTANAMIDE
1-Cyclohexyl-5(S)-2,5-bis[[2-N-(methylcarbonyl)-L-valinyl]amino]-4(R)-hydroxy-6-phenyl-2-azahexane
Aza-peptide isostere
L-Valine, N-acetyl-, 2-((2S,3S)-3-(((2S)-2-(acetylamino)-3-methyl-1-oxobutyl)amino)-2-hydroxy-4-phenylbutyl)-2-(cyclohexylmethyl)hydrazide
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

cgp 53820 [DBID]
AIDS030846 [DBID]
AIDS-030846 [DBID]
C20 [DBID]
CGP-53820 [DBID]

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

Density: 1.1±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.531
Molar Refractivity: 159.7±0.3 cm3
#H bond acceptors: 10
#H bond donors: 5
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 3
ACD/LogP: 3.52
ACD/LogD (pH 5.5): 2.88
ACD/BCF (pH 5.5): 91.24
ACD/KOC (pH 5.5): 879.77
ACD/LogD (pH 7.4): 2.88
ACD/BCF (pH 7.4): 91.28
ACD/KOC (pH 7.4): 880.20
Polar Surface Area: 140 Å2
Polarizability: 63.3±0.5 10-24cm3
Surface Tension: 44.3±3.0 dyne/cm
Molar Volume: 516.1±3.0 cm3

Click to predict properties on the Chemicalize site


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