Found 29 results

Search term: RCGXNDQKCXNWLO (Found by InChIKey (skeleton match))
ChemSpider 2D Image | N-(5-Methylhexanoyl)valylthreonylvalylvalyl-D-prolyl-L-ornithyl-N-[(6Z,9S)-9-benzyl-15-sec-butyl-6-ethylidene-3,12-diisopropyl-19-methyl-2,5,8,11,14,17-hexaoxo-1-oxa-4,7,10,13,16-pentaazacyclononadeca n-18-yl]isoleucinamide | C75H124N14O16

N-(5-Methylhexanoyl)valylthreonylvalylvalyl-D-prolyl-L-ornithyl-N-[(6Z,9S)-9-benzyl-15-sec-butyl-6-ethylidene-3,12-diisopropyl-19-methyl-2,5,8,11,14,17-hexaoxo-1-oxa-4,7,10,13,16-pentaazacyclononadeca n-18-yl]isoleucinamide

  • Molecular FormulaC75H124N14O16
  • Average mass1477.871 Da
  • Monoisotopic mass1476.932007 Da
  • ChemSpider ID10474493

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 3 of 16 defined stereocentres

More details:

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

Isoleucinamide, N-(5-methyl-1-oxohexyl)valylthreonylvalylvalyl-D-prolyl-L-ornithyl-N-[(6Z,9S)-6-ethylidene-19-methyl-3,12-bis(1-methylethyl)-15-(1-methylpropyl)-2,5,8,11,14,17-hexaoxo-9-(phenylmethyl) -1-oxa-4,7,10,13,16-pentaazacyclononadec-18-yl]- [ACD/Index Name]
N-(5-Methylhexanoyl)valylthreonylvalylvalyl-D-prolyl-L-ornithyl-N-[(6Z,9S)-9-benzyl-15-sec-butyl-6-ethyliden-3,12-diisopropyl-19-methyl-2,5,8,11,14,17-hexaoxo-1-oxa-4,7,10,13,16-pentaazacyclononadecan -18-yl]isoleucinamid [German] [ACD/IUPAC Name]
N-(5-Methylhexanoyl)valylthreonylvalylvalyl-D-prolyl-L-ornithyl-N-[(6Z,9S)-9-benzyl-15-sec-butyl-6-ethylidene-3,12-diisopropyl-19-methyl-2,5,8,11,14,17-hexaoxo-1-oxa-4,7,10,13,16-pentaazacyclononadeca n-18-yl]isoleucinamide [ACD/IUPAC Name]
N-(5-Méthylhexanoyl)valylthréonylvalylvalyl-D-prolyl-L-ornithyl-N-[(6Z,9S)-9-benzyl-15-sec-butyl-6-éthylidène-3,12-diisopropyl-19-méthyl-2,5,8,11,14,17-hexaoxo-1-oxa-4,7,10,13,16-pentaazacyclononadéca n-18-yl]isoleucinamide [French] [ACD/IUPAC Name]
kahalalide F

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

Density: 1.2±0.1 g/cm3
Boiling Point: 1630.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 268.2±3.0 kJ/mol
Flash Point: 939.7±34.3 °C
Index of Refraction: 1.564
Molar Refractivity: 397.6±0.4 cm3
#H bond acceptors: 30
#H bond donors: 15
#Freely Rotating Bonds: 33
#Rule of 5 Violations: 4
ACD/LogP: 6.53
ACD/LogD (pH 5.5): -0.34
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.22
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.18
Polar Surface Area: 442 Å2
Polarizability: 157.6±0.5 10-24cm3
Surface Tension: 56.8±5.0 dyne/cm
Molar Volume: 1221.7±5.0 cm3

Click to predict properties on the Chemicalize site


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