ChemSpider 2D Image | (3S,6S,12R)-12-Amino-6-benzyl-3-isobutyl-4-(L-tyrosyl)-1,4,7,10-tetraazacyclotetradecane-2,5,8,11-tetrone | C30H40N6O6

(3S,6S,12R)-12-Amino-6-benzyl-3-isobutyl-4-(L-tyrosyl)-1,4,7,10-tetraazacyclotetradecane-2,5,8,11-tetrone

  • Molecular FormulaC30H40N6O6
  • Average mass580.675 Da
  • Monoisotopic mass580.300903 Da
  • ChemSpider ID169876
  • defined stereocentres - 4 of 4 defined stereocentres


More details:






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

(3S,6S,12R)-12-Amino-6-benzyl-3-isobutyl-4-(L-tyrosyl)-1,4,7,10-tetraazacyclotetradecan-2,5,8,11-tetron [German] [ACD/IUPAC Name]
(3S,6S,12R)-12-Amino-6-benzyl-3-isobutyl-4-(L-tyrosyl)-1,4,7,10-tetraazacyclotetradecane-2,5,8,11-tetrone [ACD/IUPAC Name]
(3S,6S,12R)-12-Amino-6-benzyl-3-isobutyl-4-(L-tyrosyl)-1,4,7,10-tétraazacyclotétradécane-2,5,8,11-tétrone [French] [ACD/IUPAC Name]
1,4,7,10-Tetraazacyclotetradecane-2,5,8,11-tetrone, 12-amino-4-[(2S)-2-amino-3-(4-hydroxyphenyl)-1-oxopropyl]-3-(2-methylpropyl)-6-(phenylmethyl)-, (3S,6S,12R)- [ACD/Index Name]
(3S,6S,12R)-12-amino-4-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]-3-(2-methylpropyl)-6-(phenylmethyl)-1,4,7,10-tetrazacyclotetradecane-2,5,8,11-tetrone
(3S,6S,12R)-12-AMINO-4-[(2S)-2-AMINO-3-(4-HYDROXYPHENYL)PROPANOYL]-6-BENZYL-3-(2-METHYLPROPYL)-1,4,7,10-TETRAAZACYCLOTETRADECANE-2,5,8,11-TETRONE
77171-72-3 [RN]
Cyclo-N(γ)-dinh-butyryl-leu-enkephalin
Enkephalin-leu, cyclo-N(γ)-diaminobutyryl-
Enkephalin-leu, cyclo-N(γ)-dinh-butyryl-
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 946.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 142.4±3.0 kJ/mol
Flash Point: 525.9±34.3 °C
Index of Refraction: 1.558
Molar Refractivity: 155.2±0.3 cm3
#H bond acceptors: 12
#H bond donors: 8
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: -0.13
ACD/LogD (pH 5.5): -2.80
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.03
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 15.92
Polar Surface Area: 197 Å2
Polarizability: 61.5±0.5 10-24cm3
Surface Tension: 48.6±3.0 dyne/cm
Molar Volume: 481.3±3.0 cm3

Click to predict properties on the Chemicalize site






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