ChemSpider 2D Image | N-{[(2S)-1-{[(2S,3S)-3-[L-Alanyl(methyl)amino]-1-({(Z)-[(4R,5R)-5-(2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-4-hydroxydihydro-2(3H)-furanylidene]methyl}amino)-1-oxo-2-butanyl]amino}-1-oxo-2-propanyl]ca rbamoyl}-L-tryptophan | C32H41N9O10

N-{[(2S)-1-{[(2S,3S)-3-[L-Alanyl(methyl)amino]-1-({(Z)-[(4R,5R)-5-(2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-4-hydroxydihydro-2(3H)-furanylidene]methyl}amino)-1-oxo-2-butanyl]amino}-1-oxo-2-propanyl]ca rbamoyl}-L-tryptophan

  • Molecular FormulaC32H41N9O10
  • Average mass711.722 Da
  • Monoisotopic mass711.297668 Da
  • ChemSpider ID28529549

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 7 of 7 defined stereocentres

More details:

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

L-Tryptophan, N-[[[(1S)-2-[[(1S,2S)-2-[[(2S)-2-amino-1-oxopropyl]methylamino]-1-[[[(Z)-[(4R,5R)-5-(3,4-dihydro-2,4-dioxo-1(2H)-pyrimidinyl)dihydro-4-hydroxy-2(3H)-furanylidene]methyl]amino]carbonyl]pr opyl]amino]-1-methyl-2-oxoethyl]amino]carbonyl]- [ACD/Index Name]
N-{[(2S)-1-{[(2S,3S)-3-[L-Alanyl(methyl)amino]-1-({(Z)-[(4R,5R)-5-(2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-4-hydroxydihydro-2(3H)-furanyliden]methyl}amino)-1-oxo-2-butanyl]amino}-1-oxo-2-propanyl]car bamoyl}-L-tryptophan [German] [ACD/IUPAC Name]
N-{[(2S)-1-{[(2S,3S)-3-[L-Alanyl(methyl)amino]-1-({(Z)-[(4R,5R)-5-(2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-4-hydroxydihydro-2(3H)-furanylidene]methyl}amino)-1-oxo-2-butanyl]amino}-1-oxo-2-propanyl]ca rbamoyl}-L-tryptophan [ACD/IUPAC Name]
N-{[(2S)-1-{[(2S,3S)-3-[L-Alanyl(méthyl)amino]-1-({(Z)-[(4R,5R)-5-(2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-4-hydroxydihydro-2(3H)-furanylidène]méthyl}amino)-1-oxo-2-butanyl]amino}-1-oxo-2-propanyl]ca rbamoyl}-L-tryptophane [French] [ACD/IUPAC Name]
E'CHEMBL2048825'

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.671
Molar Refractivity: 180.5±0.3 cm3
#H bond acceptors: 19
#H bond donors: 10
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 3
ACD/LogP: -1.73
ACD/LogD (pH 5.5): -4.55
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.57
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 278 Å2
Polarizability: 71.6±0.5 10-24cm3
Surface Tension: 80.0±3.0 dyne/cm
Molar Volume: 482.9±3.0 cm3

Click to predict properties on the Chemicalize site


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