Found 3 results

Search term: BXTHEZGZPKLTGV (Found by InChIKey (skeleton match))
ChemSpider 2D Image | N-{(3R)-3-Hydroxy-4-[(4S,5S)-4-(hydroxymethyl)-2-(2-hydroxyphenyl)-4,5-dihydro-1,3-oxazol-5-yl]butanoyl}-L-threonyl-D-seryl-N-[(3S)-6,7-dihydroxy-1,1-dimethyl-1,2,3,4-tetrahydro-3-quinoliniumyl]-L-ser inamide | C35H49N6O13

N-{(3R)-3-Hydroxy-4-[(4S,5S)-4-(hydroxymethyl)-2-(2-hydroxyphenyl)-4,5-dihydro-1,3-oxazol-5-yl]butanoyl}-L-threonyl-D-seryl-N-[(3S)-6,7-dihydroxy-1,1-dimethyl-1,2,3,4-tetrahydro-3-quinoliniumyl]-L-ser inamide

  • Molecular FormulaC35H49N6O13
  • Average mass761.795 Da
  • Monoisotopic mass761.335205 Da
  • ChemSpider ID78443792

  • Charge - Charge

    defined stereocentres - 8 of 8 defined stereocentres

More details:

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

L-Serinamide, N-[(3R)-4-[(4S,5S)-4,5-dihydro-4-(hydroxymethyl)-2-(2-hydroxyphenyl)-5-oxazolyl]-3-hydroxy-1-oxobutyl]-L-threonyl-D-seryl-N-[(3S)-1,2,3,4-tetrahydro-6,7-dihydroxy-1,1-dimethyl-3-quinolin iumyl]- [ACD/Index Name]
N-{(3R)-3-Hydroxy-4-[(4S,5S)-4-(hydroxymethyl)-2-(2-hydroxyphenyl)-4,5-dihydro-1,3-oxazol-5-yl]butanoyl}-L-threonyl-D-seryl-N-[(3S)-6,7-dihydroxy-1,1-dimethyl-1,2,3,4-tetrahydro-3-chinoliniumyl]-L-ser inamid [German] [ACD/IUPAC Name]
N-{(3R)-3-Hydroxy-4-[(4S,5S)-4-(hydroxyméthyl)-2-(2-hydroxyphényl)-4,5-dihydro-1,3-oxazol-5-yl]butanoyl}-L-thréonyl-D-séryl-N-[(3S)-6,7-dihydroxy-1,1-diméthyl-1,2,3,4-tétrahydro-3-quinoléiniumyl]-L-sé rinamide [French] [ACD/IUPAC Name]
N-{(3R)-3-Hydroxy-4-[(4S,5S)-4-(hydroxymethyl)-2-(2-hydroxyphenyl)-4,5-dihydro-1,3-oxazol-5-yl]butanoyl}-L-threonyl-D-seryl-N-[(3S)-6,7-dihydroxy-1,1-dimethyl-1,2,3,4-tetrahydro-3-quinoliniumyl]-L-ser inamide [ACD/IUPAC Name]
Anachelin 2

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

Density:
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 19
#H bond donors: 12
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 3
ACD/LogP: -6.61
ACD/LogD (pH 5.5): -6.81
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.56
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 300 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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