ChemSpider 2D Image | hemiasterlin | C30H46N4O4

hemiasterlin

  • Molecular FormulaC30H46N4O4
  • Average mass526.711 Da
  • Monoisotopic mass526.351929 Da
  • ChemSpider ID4509049
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 3 of 3 defined stereocentres


More details:






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

157207-90-4 [RN]
hemiasterlin
L-Valinamide, N,β,β,1-tetramethyl-L-tryptophyl-N-[(1S,2E)-3-carboxy-1-(1-methylethyl)-2-buten-1-yl]-N,3-dimethyl- [ACD/Index Name]
N,β,β,1-Tetramethyl-L-tryptophyl-N-[(3S,4E)-5-carboxy-2-methyl-4-hexen-3-yl]-N,3-dimethyl-L-valinamid [German] [ACD/IUPAC Name]
N,β,β,1-Tetramethyl-L-tryptophyl-N-[(3S,4E)-5-carboxy-2-methyl-4-hexen-3-yl]-N,3-dimethyl-L-valinamide [ACD/IUPAC Name]
N,β,β,1-Tétraméthyl-L-tryptophyl-N-[(3S,4E)-5-carboxy-2-méthyl-4-hexén-3-yl]-N,3-diméthyl-L-valinamide [French] [ACD/IUPAC Name]
N,β,β,1-tetramethyl-L-tryptophyl-N-[(3S,4E)-5-carboxy-2-methylhex-4-en-3-yl]-N,3-dimethyl-L-valinamide
(E)-(S)-4-({(S)-3,3-Dimethyl-2-[(S)-3-methyl-2-methylamino-3-(1-methyl-1H-indol-3-yl)-butyrylamino]-butyryl}-methyl-amino)-2,5-dimethyl-hex-2-enoic acid
(E,4S)-4-[[(2S)-3,3-dimethyl-2-[[(2S)-3-methyl-2-methylamino-3-(1-methyl-3-indolyl)-1-oxobutyl]amino]-1-oxobutyl]-methylamino]-2,5-dimethylhex-2-enoic acid
(E,4S)-4-[[(2S)-3,3-dimethyl-2-[[(2S)-3-methyl-2-methylamino-3-(1-methylindol-3-yl)butanoyl]amino]butanoyl]-methylamino]-2,5-dimethylhex-2-enoic acid
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

6S0T7U2I3F [DBID]
NSC695242 [DBID]
UNII:6S0T7U2I3F [DBID]
UNII-6S0T7U2I3F [DBID]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 734.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 112.5±3.0 kJ/mol
Flash Point: 397.8±32.9 °C
Index of Refraction: 1.548
Molar Refractivity: 152.2±0.5 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 5.12
ACD/LogD (pH 5.5): 2.21
ACD/BCF (pH 5.5): 7.23
ACD/KOC (pH 5.5): 28.80
ACD/LogD (pH 7.4): 2.09
ACD/BCF (pH 7.4): 5.45
ACD/KOC (pH 7.4): 21.73
Polar Surface Area: 104 Å2
Polarizability: 60.3±0.5 10-24cm3
Surface Tension: 36.9±7.0 dyne/cm
Molar Volume: 479.1±7.0 cm3

Click to predict properties on the Chemicalize site






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